Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Acetic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | TSHR | P16473 | 3/20 | 0.43 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.43 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.43 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | THRB | P10828 | 2/20 | 0.43 |
| ▸ | BLM | P54132 | 2/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.43 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.43 |
| ▸ | GABRR3 | A8MPY1 | 1/20 | 0.43 |
| ▸ | GABRP | O00591 | 1/20 | 0.43 |
| ▸ | GABRD | O14764 | 1/20 | 0.43 |
| ▸ | GABBR2 | O75899 | 1/20 | 0.43 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.43 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.43 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.43 |
| ▸ | GABRR1 | P24046 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL648724 | 0.94 | CYP1A2 (0.54) | CYP1A2KMT2ATSHRHDAC8HDAC1 | |
| SCHEMBL22832200 | 0.92 | CYP1A2 (0.52) | CYP1A2KMT2ATSHRHDAC8HDAC1 | |
| Hydrochloric Acid SCHEMBL1093848 | 0.92 | CYP1A2 (0.52) | CYP1A2KMT2ATSHRHDAC8HDAC1 | |
| SCHEMBL901575 | 0.88 | CYP1A2 (0.47) | CYP1A2KMT2ATSHRHDAC8HDAC1 | |
| Oxalic Acid SCHEMBL2349465 | 0.86 | CYP2D6 (0.45) | CYP1A2KMT2ATSHRHDAC8HDAC1 | |
| SCHEMBL22834112 | 0.86 | PAOX (0.50) | CYP1A2KMT2ATSHRHDAC8HDAC1 | |
| SCHEMBL21611683 | 0.86 | PAOX (0.50) | CYP1A2KMT2ATSHRHDAC8HDAC1 | |
| Hydrochloric Acid SCHEMBL3641313 | 0.86 | BLM (0.46) | CYP1A2KMT2ATSHRHDAC8HDAC1 | |
| SCHEMBL931564 | 0.86 | PAOX (0.50) | CYP1A2KMT2ATSHRHDAC8HDAC1 | |
| SCHEMBL7697296 | 0.86 | PAOX (0.50) | CYP1A2KMT2ATSHRHDAC8HDAC1 |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0804468-B1 | METHOD OF MAKING AN OMEGA-FUNCTIONALIZED AMINO ACID DERIVATIVE | DEVELOGEN ISRAEL LTD (IL) | 2007-04-25 | — | — | EP | disclosed |
| US-7084244-B2 | Conformationally constrained backbone cyclized peptide analogs | DEVELOGEN ISRAEL LTD. (IL) | 2006-08-01 | — | — | US | disclosed |
| WO-2004074316-A1 | CONFORMATIONALLY CONSTRAINED BACKBONE CYCLIZED PEPTIDE ANALOGS | GILON CHAIM (IL) | 2004-09-02 | — | — | WO | disclosed |
| US-20030144186-A1 | Conformationally constrained backbone cyclized peptide analogs | DEVELOGEN ISRAEL LTD. (IL) | 2003-07-31 | — | — | US | disclosed |
| US-6407059-B1 | SOMATOSTATIN-TYPE DRUG | PEPTOR LIMITED (IL) | 2002-06-18 | — | — | US | disclosed |
| US-6265375-B1 | Conformationally constrained backbone cyclized peptide analogs | YISSUM RESEARCH DEVELOPMENT CO. OF THE HEBREW UNIVERSITY (IL) | 2001-07-24 | — | — | US | disclosed |
| US-5883293-A | SOMATOSTATIN CONPOUNDS | PEPTOR LTD. (IL) | 1999-03-16 | — | — | US | disclosed |
| US-5874529-A | BRADYKININ ANTAGONIST | PEPTOR LTD. (IL) | 1999-02-23 | — | — | US | disclosed |
| US-5811392-A | BRADYKININ ANTAGONISTS; SOMATOSTATIN ANALOGS | YISSUM RESEARCH DEVELOPMENT CO. OF THE HEBREW UNIVERSITY (IL) | 1998-09-22 | — | — | US | disclosed |
| EP-0804468-A1 | CONFORMATIONALLY CONSTRAINED BACKBONE CYCLIZED PEPTIDE ANALOG | PEPTOR LTD (IL) | 1997-11-05 | — | — | EP | disclosed |
| WO-1995033765-A1 | CONFORMATIONALLY CONSTRAINED BACKBONE CYCLIZED PEPTIDE ANALOG | PEPTOR LTD. (IL) | 1995-12-14 | — | — | 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 (1 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-20030144186-A1 | Conformationally constrained backbone cyclized peptide analogs | VIP, BDKRB1, BDKRB2 | CYP1A2 4756/4885KMT2A 2654/4885TSHR 336/4885 |
“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.