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 | |
|---|---|---|---|---|
| ▸ | ABL1 | P00519 | 20/20 | 0.90 |
| ▸ | BCR | P11274 | 14/20 | 0.90 |
| ▸ | KIT | P10721 | 12/20 | 0.90 |
| ▸ | ABL2 | P42684 | 7/20 | 0.90 |
| ▸ | PDGFRA | P16234 | 3/20 | 0.90 |
| ▸ | LYN | P07948 | 3/20 | 0.90 |
| ▸ | PDGFRB | P09619 | 2/20 | 0.90 |
| ▸ | SRC | P12931 | 2/20 | 0.90 |
| ▸ | SYK | P43405 | 2/20 | 0.90 |
| ▸ | PLK4 | O00444 | 1/20 | 0.90 |
| ▸ | DDX3X | O00571 | 1/20 | 0.90 |
| ▸ | GAK | O14976 | 1/20 | 0.90 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.90 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.90 |
| ▸ | CA12 | O43570 | 1/20 | 0.90 |
| ▸ | SLC22A3 | O75751 | 1/20 | 0.90 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.90 |
| ▸ | EGFR | P00533 | 1/20 | 0.90 |
| ▸ | CA1 | P00915 | 1/20 | 0.90 |
| ▸ | CA2 | P00918 | 1/20 | 0.90 |
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 | |
|---|---|---|---|---|
| SCHEMBL3857816 | 0.98 | ABL1 (0.94) | ABL1BCRKITABL2PDGFRA | |
| Imatinib SCHEMBL1358619 | 0.97 | ABL1 (0.96) | ABL1BCRKITABL2PDGFRA | |
| SCHEMBL3859559 | 0.95 | ABL1 (0.94) | ABL1BCRKITABL2PDGFRA | |
| Imatinib SCHEMBL29355523 | 0.95 | ABL1 (1.00) | ABL1BCRKITABL2PDGFRA | |
| Imatinib SCHEMBL29351601 | 0.95 | ABL1 (1.00) | ABL1BCRKITABL2PDGFRA | |
| Imatinib SCHEMBL3827 | 0.95 | ABL1 (1.00) | ABL1BCRKITABL2PDGFRA | |
| Imatinib SCHEMBL2236091 | 0.95 | ABL1 (1.00) | ABL1BCRKITABL2PDGFRA | |
| Imatinib SCHEMBL4078291 | 0.94 | ABL1 (0.96) | ABL1BCRKITABL2PDGFRA | |
| Imatinib SCHEMBL1977949 | 0.94 | ABL1 (0.98) | ABL1BCRKITABL2PDGFRA | |
| Imatinib SCHEMBL529425 | 0.94 | ABL1 (0.98) | ABL1BCRKITABL2PDGFRA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7595323-B2 | N-phenyl-2-pyrimidine-amine derivatives and process for the preparation thereof | IL YANG PHARM. CO., LTD. (KR) | 2009-09-29 | — | — | US | disclosed |
| US-20040248918-A1 | Anticancer agents | IL YANG PHARM. CO., LTD. | 2004-12-09 | — | — | US | disclosed |
| WO-2004099186-A1 | N-PHENYL-2-PYRIMIDINE-AMINE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF | IL YANG PHARM CO., LTD. (KR) | 2004-11-18 | — | — | 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-20040248918-A1 | Anticancer agents | BRDT, CHIA, RNASE1 | ABL1 1106/4885BCR 2730/4885KIT 851/4885 |
“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.