Known targets — ChEMBL curated mechanism
ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA
The experimentally established mechanism targets of Hydrochloric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BDKRB2 known ✓ | P30411 | 5/20 | 0.42 |
| ▸ | SLC6A3 known ✓ | Q01959 | 3/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL2631523 | 0.74 | PKM (0.45) | SMN1; SMN2LMNATSHRHTTSLC6A3 | |
| SCHEMBL1107413 | 0.74 | — | — | |
| SCHEMBL22431621 | 0.73 | MAPT (0.38) | SMN1; SMN2LMNATSHRHTTSLC6A3 | |
| SCHEMBL19504086 | 0.73 | MAPT (0.38) | SMN1; SMN2LMNATSHRHTTSLC6A3 | |
| SCHEMBL15004516 | 0.73 | KCNH2 (0.47) | SMN1; SMN2LMNATSHRHTTSLC6A3 | |
| SCHEMBL21776299 | 0.72 | SLC6A3 (0.40) | SMN1; SMN2LMNATSHRHTTSLC6A3 | |
| Hydrochloric Acid SCHEMBL3860801 | 0.72 | CA2 (0.38) | BDKRB2SLC6A3 | |
| SCHEMBL18884252 | 0.72 | KCNH2 (0.50) | SMN1; SMN2LMNATSHRHTTSLC6A3 | |
| SCHEMBL14984312 | 0.72 | KCNH2 (0.50) | SMN1; SMN2LMNATSHRHTTSLC6A3 | |
| SCHEMBL8697797 | 0.72 | KCNH2 (0.50) | SMN1; SMN2LMNATSHRHTTSLC6A3 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20110112149-A1 | EPOTHILONE ANALOGUES, THEIR PHARMACEUTICAL COMPOSITIONS, THEIR USE AND THEIR PREPA RATIONS | TANG, LI (CN) | 2011-05-12 | — | — | US | disclosed |
| EP-2261221-A1 | EPOTHILONE ANALOGUES, THEIR PHARMACEUTICAL COMPOSITIONS, THEIR USE AND THEIR PREPARATIONS | Tang, Li (CN) | 2010-12-15 | — | — | EP | disclosed |
| EP-1687301-B1 | THIAEPOTHILONE FOR TREATING CANCEROUS DISEASES | LEIBNIZ INST FUER PFLANZENBIOC (DE) | 2009-05-13 | — | — | EP | disclosed |
| US-7381743-B2 | Macrocycles for the treatment of cancer | LEIBNIZ-INSTITUT FUER PFLANZENBIOCHEMIE (IPB) (DE) | 2008-06-03 | — | — | US | disclosed |
| US-20070105905-A1 | Novel macrocycles for the treatment of cancer | LEIBNIZ-INSTITUT FUER PFLANZENBIOCHEMIE (IPB) (DE) | 2007-05-10 | — | — | US | disclosed |
| EP-1358144-B1 | EPOTHILONE SYNTHESIS COMPONENTS I: ASYMMETRICALLY SUBSTITUTED ACYLOINS AND ACYLOIN DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF AND METHOD FOR THE PRODUCTION OF EPITHILONE AND EPOTHILONE DERIVATIVES | R & D BIOPHARMACEUTICALS (DE) | 2006-12-27 | — | — | EP | disclosed |
| EP-1687301-A1 | THIAEPOTHILONE FOR TREATING CANCEROUS DISEASES | LEIBNIZ-INSTITUT FÜR PFLANZENBIOCHEMIE (IPB) (DE) | 2006-08-09 | — | — | EP | disclosed |
| WO-2005051947-A1 | THIAEPOTHILONE FOR TREATING CANCEROUS DISEASES | LEIBNIZ-INSTITUT FÜR PFLANZENBIOCHEMIE (IPB) (DE) | 2005-06-09 | — | — | WO | disclosed |
| US-6867333-B2 | EPOTHILONE SYNTHESIS BUILDING BLOCKS III AND IV: ASYMMETRICALLY SUBSTITUTED ACYLOINS AND ACYLOIN DERIVATIVES, METHODS FOR THEIR PRODUCTION AND METHODS FOR THE PRODUCTION OF EPOTHILONES B, D AND EPOTHILONE DERIVATIVES | MORPHOCHEM AG (DE) | 2005-03-15 | — | — | US | disclosed |
| US-20040082651-A1 | Epothilone synthesis building blocks III and IV: asymmetrically substituted acyloins and acyloin derivatives, methods for their production and methods for the production of epothilones B, D and epothilone derivatives | R & D BIOPHARMACEUTICALS GMBH (DE) | 2004-04-29 | — | — | US | disclosed |
| US-20030220503-A1 | Hydroxylation, carboxylation, cyclization, esterification, epoxidation, etherification | SCHERING AKTIENGESELLSCHAFT (DE) | 2003-11-27 | — | — | US | disclosed |
| EP-1358144-A1 | EPOTHILONE SYNTHESIS COMPONENTS III AND IV: ASYMMETRICALLY SUBSTITUTED ACYLOINS AND ACYLOIN DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF AND METHOD FOR THE PRODUCTION OF EPITHILONE B, D AND EPOTHILONE DERIVATIVES | Morphochem AG (DE) | 2003-11-05 | — | — | EP | disclosed |
| US-6605726-B1 | Method for producing epothilone B and derivatives, and intermediate products for this method | SCHERING AG (DE) | 2003-08-12 | — | — | US | disclosed |
| EP-1121364-B1 | METHOD FOR PRODUCING EPOTHILONE B AND DERIVATIVES THEREOF | SCHERING AG (DE) | 2003-01-08 | — | — | EP | disclosed |
| WO-2002032844-A2 | EPOTHILONE SYNTHESIS COMPONENTS III AND IV: ASYMMETRICALLY SUBSTITUTED ACYLOINS AND ACYLOIN DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF AND METHOD FOR THE PRODUCTION OF EPITHILONE B, D AND EPOTHILONE DERIVATIVES | MORPHOCHEM AG (DE) | 2002-04-25 | — | — | WO | disclosed |
| EP-1121364-A1 | METHOD FOR PRODUCING EPOTHILONE B AND DERIVATIVES, AND INTERMEDIATE PRODUCTS FOR THIS METHOD | Schering Aktiengesellschaft (DE) | 2001-08-08 | — | — | EP | disclosed |
| WO-2000023452-A1 | METHOD FOR PRODUCING EPOTHILONE B AND DERIVATIVES, AND INTERMEDIATE PRODUCTS FOR THIS METHOD | SCHERING AKTIENGESELLSCHAFT (DE) | 2000-04-27 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20110112149-A1 | EPOTHILONE ANALOGUES, THEIR PHARMACEUTICAL COMPOSITIONS, THEIR USE AND THEIR PREPA RATIONS | PPIA, PREP, THPO | BDKRB2 1927/4885SLC6A3 4828/4885SMN1; SMN2 3485/4885 |
| US-20070105905-A1 | Novel macrocycles for the treatment of cancer | HCCS, FOLR1, AURKAIP1 | BDKRB2 472/4885SLC6A3 4269/4885SMN1; SMN2 2206/4885 |
| US-20030220503-A1 | Hydroxylation, carboxylation, cyclization, esterification, epoxidation, etherification | CYP4A11, CYP4B1, CYP4F11 | BDKRB2 1212/4885SLC6A3 4113/4885SMN1; SMN2 4435/4885 |
| US-20040082651-A1 | Epothilone synthesis building blocks III and IV: asymmetrically substituted acyloins and acyloin derivatives, methods for their production and methods for the production of epothilones B, D and epothilone derivatives | COASY, ACOX1, FDFT1 | BDKRB2 2189/4885SLC6A3 4174/4885SMN1; SMN2 4763/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.