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 | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 5/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.48 |
| ▸ | HPGD | P15428 | 6/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | CA12 | O43570 | 1/20 | 0.48 |
| ▸ | CA1 | P00915 | 1/20 | 0.48 |
| ▸ | CA2 | P00918 | 1/20 | 0.48 |
| ▸ | HMGB1 | P09429 | 1/20 | 0.48 |
| ▸ | CA4 | P22748 | 1/20 | 0.48 |
| ▸ | CA6 | P23280 | 1/20 | 0.48 |
| ▸ | CA7 | P43166 | 1/20 | 0.48 |
| ▸ | CA9 | Q16790 | 1/20 | 0.48 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.48 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.48 |
| ▸ | TRPM8 | Q7Z2W7 | 2/20 | 0.48 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.46 |
| ▸ | LMNA | P02545 | 3/20 | 0.46 |
| ▸ | P2RX4 | Q99571 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL21891698 | 0.79 | ALDH1A1 (0.56) | TSHRKDM4EHPGDALDH1A1SMN1; SMN2 | |
| SCHEMBL6623610 | 0.78 | KDM4E (0.50) | TSHRKDM4EHPGDALDH1A1HSD17B10 | |
| SCHEMBL12989218 | 0.76 | KMT2A (0.50) | TSHRHPGDTRPM8P2RX4KMT2A | |
| SCHEMBL8165729 | 0.76 | P2RX4 (0.49) | TSHRKDM4EHPGDALDH1A1SMN1; SMN2 | |
| SCHEMBL11756196 | 0.76 | P2RX4 (0.49) | TSHRKDM4EHPGDALDH1A1SMN1; SMN2 | |
| SCHEMBL8011594 | 0.76 | SLC6A2 (0.49) | TSHRHPGDCA1CA2LMNA | |
| Salicylic Acid SCHEMBL4827260 | 0.74 | ALDH1A1 (0.86) | TSHRKDM4EHPGDALDH1A1SMN1; SMN2 | |
| Salicylic Acid SCHEMBL19209758 | 0.74 | ALDH1A1 (0.86) | TSHRKDM4EHPGDALDH1A1SMN1; SMN2 | |
| SCHEMBL7220835 | 0.74 | P2RX4 (0.48) | TSHRKDM4EHPGDALDH1A1SMN1; SMN2 | |
| SCHEMBL12989200 | 0.74 | NPSR1 (0.57) | TSHRKDM4EHPGDALDH1A1P2RX4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1037617-A1 | SUBSTITUTED AMIDINO COMPOUNDS IN THE TREATMENT OF CHRONIC OBSTRUCTIVE PULMONARY DISEASE | Novartis AG (CH) | 2000-09-27 | — | — | EP | disclosed |
| WO-1999030695-A1 | SUBSTITUTED AMIDINO COMPOUNDS IN THE TREATMENT OF CHRONIC OBSTRUCTIVE PULMONARY DISEASE | NOVARTIS AG (CH) | 1999-06-24 | — | — | WO | disclosed |