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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.32 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.32 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.32 |
| ▸ | CYP11B1 | P15538 | 3/20 | 0.32 |
| ▸ | CYP11B2 | P19099 | 3/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.31 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Pyridine SCHEMBL920961 | 0.87 | CRHR1 (0.33) | ALDH1A1LMNASMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL3670743 | 0.86 | CRHR1 (0.33) | ALDH1A1LMNASMN1; SMN2ALOX5PTGS1 | |
| SCHEMBL712813 | 0.80 | ALDH1A1 (0.33) | ALDH1A1LMNASMN1; SMN2ALOX5PTGS1 | |
| SCHEMBL29659309 | 0.80 | ALDH1A1 (0.33) | ALDH1A1LMNASMN1; SMN2ALOX5PTGS1 | |
| SCHEMBL17267904 | 0.75 | ALDH1A1 (0.33) | ALDH1A1LMNASMN1; SMN2CYP11B1CYP11B2 | |
| Hydrochloric Acid SCHEMBL547963 | 0.74 | — | — | |
| SCHEMBL29534290 | 0.72 | ALDH1A1 (0.32) | ALDH1A1LMNASMN1; SMN2ALOX5PTGS1 | |
| SCHEMBL29569814 | 0.72 | ALDH1A1 (0.32) | ALDH1A1LMNASMN1; SMN2ALOX5PTGS1 | |
| Iodide SCHEMBL3672824 | 0.72 | — | — | |
| Bromide SCHEMBL3667202 | 0.72 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20110136902-A1 | 12-MEMBERED-RING MACROLACTAM DERIVATIVES | MIYANO MASAYUKI | 2011-06-09 | — | — | US | disclosed |
| US-7884128-B2 | reacting 11-{[tert-butyl(dimethyl)silyl]oxy}-7-[(E)-2-formyl-1-methyleth-1-en-1-yl]-6,13a-dimethyl-2-phenyl-3a,6,7,10,11,12,13,13a-octahydro-9H-[1,3]dioxolo[4,5-f]oxacyclododecin-9-one with 2-methyl-3-[(1-phenyl-1H-tetrazol-5-yl)sulfonyl]propyl}oxiran-2-yl)pentane-3-ol, to form pladienolide analogues | EISAI R&D MANAGEMENT CO., LTD. (JP) | 2011-02-08 | — | — | US | disclosed |
| US-7816401-B2 | Process for total synthesis of pladienolide B and pladienolide D | EISAI R&D MANAGEMENT CO., LTD. (JP) | 2010-10-19 | — | — | US | disclosed |
| US-20100204490-A1 | PROCESS FOR TOTAL SYNTHESIS OF PLADIENOLIDE B AND PLADIENOLIDE D | KANADA REGINA MIKIE | 2010-08-12 | — | — | US | disclosed |
| EP-1935893-A1 | TOTAL SYNTHESIS OF PLADIENOLIDE B AND PLADIENOLIDE D | Eisai R&D Management Co., Ltd. (JP) | 2008-06-25 | — | — | EP | disclosed |
| US-20080021226-A1 | Process for total synthesis of pladienolide B and pladienolide D | EISAI R&D MANAGEMENT CO., LTD. | 2008-01-24 | — | — | US | 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 (3 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-20100204490-A1 | PROCESS FOR TOTAL SYNTHESIS OF PLADIENOLIDE B AND PLADIENOLIDE D | CYP8B1, PLA2G2D, HPD | ALDH1A1 2637/4885LMNA 972/4885SMN1; SMN2 3436/4885 |
| US-20110136902-A1 | 12-MEMBERED-RING MACROLACTAM DERIVATIVES | HDAC11, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HDAC1 | ALDH1A1 2310/4885LMNA 3245/4885SMN1; SMN2 4083/4885 |
| US-20080021226-A1 | Process for total synthesis of pladienolide B and pladienolide D | TPD52L2, CYP8B1, HPD | ALDH1A1 2011/4885LMNA 1265/4885SMN1; SMN2 2592/4885 |
“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.