Known targets — ChEMBL curated mechanism
CACNA1CCACNA1DCACNA1FCACNA1SDPP4HTR1BHTR1D
The experimentally established mechanism targets of 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 | |
|---|---|---|---|---|
| ▸ | SRD5A2 | P31213 | 6/20 | 0.71 |
| ▸ | TSHR | P16473 | 3/20 | 0.67 |
| ▸ | DAO | P14920 | 1/20 | 0.67 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.67 |
| ▸ | PLA2G10 | O15496 | 1/20 | 0.63 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.63 |
| ▸ | LMNA | P02545 | 1/20 | 0.63 |
| ▸ | CES2 | O00748 | 2/20 | 0.62 |
| ▸ | CES1 | P23141 | 2/20 | 0.62 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.58 |
| ▸ | TP53 | P04637 | 1/20 | 0.57 |
| ▸ | CA12 | O43570 | 1/20 | 0.55 |
| ▸ | CA1 | P00915 | 1/20 | 0.55 |
| ▸ | CA2 | P00918 | 1/20 | 0.55 |
| ▸ | CA9 | Q16790 | 1/20 | 0.55 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.54 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.53 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL502598 | 0.95 | SRD5A2 (0.71) | SRD5A2TSHRDAONAPRTPLA2G10 | |
| SCHEMBL5482345 | 0.95 | SRD5A2 (0.71) | SRD5A2TSHRDAONAPRTPLA2G10 | |
| Ammonia Solution, Strong SCHEMBL28313730 | 0.93 | SRD5A2 (0.69) | SRD5A2TSHRDAONAPRTPLA2G10 | |
| SCHEMBL68390 | 0.93 | SRD5A2 (0.69) | SRD5A2TSHRDAONAPRTPLA2G10 | |
| Hydrochloric Acid SCHEMBL25188150 | 0.90 | SRD5A2 (0.67) | SRD5A2TSHRDAONAPRTPLA2G10 | |
| Hydrochloric Acid SCHEMBL7133360 | 0.90 | SRD5A2 (0.67) | SRD5A2TSHRDAONAPRTPLA2G10 | |
| SCHEMBL8094666 | 0.86 | ALDH1A1 (0.67) | SRD5A2PLA2G10PLA2G2ALMNACES2 | |
| SCHEMBL11673315 | 0.86 | SRD5A2 (0.62) | SRD5A2TSHRPLA2G10PLA2G2ALMNA | |
| SCHEMBL1289403 | 0.86 | CA12 (0.70) | SRD5A2TSHRALDH1A1TP53CA12 | |
| SCHEMBL11797875 | 0.86 | CES2 (0.71) | SRD5A2TSHRPLA2G10PLA2G2ALMNA |
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 |
|---|---|---|---|---|---|---|---|
| EP-0733668-B1 | Method of in-mold coating | DAINIPPON TORYO KK (JP) | 2003-06-04 | — | — | EP | disclosed |
| US-5736090-A | INJECTING COATING COMPOSITION BETWEEN MOLDED PRODUCT AND INNER WALL OF MOLD; CURING; DEMOLDING | DAI NIPPON TOKYO CO., LTD. (JP) | 1998-04-07 | — | — | US | disclosed |
| EP-0733668-A2 | Method of in-mold coating | DAI NIPPON TORYO CO., Ltd. (JP) | 1996-09-25 | — | — | EP | disclosed |