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 | |
|---|---|---|---|---|
| ▸ | NOS3 known ✓ | P29474 | 1/20 | 0.45 |
| ▸ | NOS1 known ✓ | P29475 | 1/20 | 0.45 |
| ▸ | NOS2 known ✓ | P35228 | 1/20 | 0.45 |
| ▸ | NAPRT | Q6XQN6 | 2/20 | 0.53 |
| ▸ | PRKCI | P41743 | 2/20 | 0.44 |
| ▸ | SHMT2 | P34897 | 1/20 | 0.41 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.41 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | GRM5 | P41594 | 1/20 | 0.38 |
| ▸ | ATR | Q13535 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL29907224 | 0.85 | — | — | |
| SCHEMBL102167 | 0.85 | — | — | |
| Acetic Acid SCHEMBL29148560 | 0.77 | NAPRT (0.53) | NAPRTALDH1A1SMN1; SMN2HPGDHSD17B10 | |
| SCHEMBL29095967 | 0.74 | NOS3 (0.42) | NAPRTNOS3NOS1NOS2SHMT2 | |
| Acetic Acid SCHEMBL29148543 | 0.74 | TRIM24 (0.43) | NAPRTALDH1A1SMN1; SMN2HPGDHSD17B10 | |
| Tert-Butyl Formate SCHEMBL27813860 | 0.74 | TDP1 (0.42) | NAPRTNOS3NOS1NOS2MKNK1 | |
| SCHEMBL1322157 | 0.72 | NAPRT (0.68) | NAPRTNOS3NOS1NOS2PRKCI | |
| SCHEMBL5313640 | 0.72 | ALDH1A1 (0.45) | ALDH1A1SMN1; SMN2HPGDHSD17B10KDM4E | |
| SCHEMBL29489950 | 0.72 | NAPRT (0.68) | NAPRTNOS3NOS1NOS2PRKCI | |
| SCHEMBL29543454 | 0.72 | ALDH1A1 (0.45) | ALDH1A1SMN1; SMN2HPGDHSD17B10KDM4E |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117915912-A | HPK1 antagonists and uses thereof | 林伯士萨顿公司 | 2024-04-19 | — | — | CN | disclosed |
| CN-117377673-A | HPK1 antagonists and uses thereof | 林伯士萨顿公司 | 2024-01-09 | — | — | CN | disclosed |
| CN-117295737-A | HPK1 antagonists and uses thereof | 林伯士萨顿公司 | 2023-12-26 | — | — | CN | disclosed |
| CN-117120090-A | HPK1 antagonists and uses thereof | 林伯士萨顿公司 | 2023-11-24 | — | — | CN | disclosed |