Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of 4-Chloro-Benzoic 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 | 2/20 | 0.85 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.85 |
| ▸ | SRD5A2 | P31213 | 4/20 | 0.74 |
| ▸ | TP53 | P04637 | 1/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.59 |
| ▸ | CES2 | O00748 | 3/20 | 0.56 |
| ▸ | CES1 | P23141 | 3/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.54 |
| ▸ | RXRA | P19793 | 1/20 | 0.54 |
| ▸ | RXRB | P28702 | 1/20 | 0.54 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.53 |
| ▸ | CA1 | P00915 | 4/20 | 0.52 |
| ▸ | CA2 | P00918 | 4/20 | 0.52 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.50 |
| ▸ | CA12 | O43570 | 1/20 | 0.50 |
| ▸ | CA3 | P07451 | 1/20 | 0.50 |
| ▸ | TYR | P14679 | 1/20 | 0.50 |
| ▸ | DRD1 | P21728 | 1/20 | 0.50 |
| ▸ | CA4 | P22748 | 1/20 | 0.50 |
| ▸ | CA6 | P23280 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| 4-Chloro-Benzoic Acid SCHEMBL9249459 | 0.92 | TSHR (0.90) | TSHRALOX15SRD5A2TP53ALDH1A1 | |
| 4-Chloro-Benzoic Acid SCHEMBL28384 | 0.92 | TSHR (1.00) | TSHRALOX15SRD5A2TP53ALDH1A1 | |
| 4-Chloro-Benzoic Acid SCHEMBL1331727 | 0.92 | TSHR (1.00) | TSHRALOX15SRD5A2TP53ALDH1A1 | |
| 4-Chloro-Benzoic Acid SCHEMBL28262993 | 0.90 | TSHR (0.85) | TSHRALOX15SRD5A2TP53ALDH1A1 | |
| 4-Chloro-Benzoic Acid SCHEMBL3150134 | 0.90 | TSHR (0.94) | TSHRALOX15SRD5A2TP53ALDH1A1 | |
| 4-Chloro-Benzoic Acid SCHEMBL7634885 | 0.90 | TSHR (0.94) | TSHRALOX15SRD5A2TP53ALDH1A1 | |
| 4-Chloro-Benzoic Acid SCHEMBL11173042 | 0.90 | TSHR (0.94) | TSHRALOX15SRD5A2TP53ALDH1A1 | |
| 4-Chloro-Benzoic Acid SCHEMBL8024007 | 0.90 | TSHR (0.94) | TSHRALOX15SRD5A2TP53ALDH1A1 | |
| 4-Chloro-Benzoic Acid SCHEMBL9493329 | 0.90 | TSHR (0.94) | TSHRALOX15SRD5A2TP53ALDH1A1 | |
| 4-Chloro-Benzoic Acid SCHEMBL9316886 | 0.90 | TSHR (0.94) | TSHRALOX15SRD5A2TP53ALDH1A1 |
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-1215216-B1 | Cellulose ester of aromatic carboxylic acid | FUJI PHOTO FILM CO LTD (JP) | 2005-07-27 | — | — | EP | disclosed |
| EP-1215216-A1 | Cellulose ester of aromatic carboxylic acid | FUJI PHOTO FILM CO., LTD. (JP) | 2002-06-19 | — | — | EP | disclosed |