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 | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.58 |
| ▸ | DAO | P14920 | 1/20 | 0.58 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.58 |
| ▸ | F2 | P00734 | 1/20 | 0.52 |
| ▸ | LMNA | P02545 | 1/20 | 0.52 |
| ▸ | SRD5A2 | P31213 | 2/20 | 0.50 |
| ▸ | CES2 | O00748 | 1/20 | 0.50 |
| ▸ | CES1 | P23141 | 1/20 | 0.50 |
| ▸ | TP53 | P04637 | 2/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.45 |
| ▸ | PLA2G7 | Q13093 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | UNG | P13051 | 1/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| Benzene SCHEMBL28103328 | 0.94 | LMNA (0.58) | TSHRDAONAPRTF2LMNA | |
| SCHEMBL229640 | 0.94 | LMNA (0.58) | TSHRDAONAPRTF2LMNA | |
| SCHEMBL27851722 | 0.91 | LMNA (0.56) | TSHRDAONAPRTF2LMNA | |
| Ammonia Solution, Strong SCHEMBL4978199 | 0.91 | LMNA (0.56) | TSHRDAONAPRTF2LMNA | |
| Ammonia Solution, Strong SCHEMBL28229337 | 0.91 | LMNA (0.56) | TSHRDAONAPRTF2LMNA | |
| SCHEMBL2841791 | 0.91 | LMNA (0.56) | TSHRDAONAPRTF2LMNA | |
| SCHEMBL8422588 | 0.91 | LMNA (0.56) | TSHRDAONAPRTF2LMNA | |
| SCHEMBL22191623 | 0.91 | TSHR (0.55) | TSHRDAONAPRTSRD5A2CES2 | |
| SCHEMBL21325951 | 0.91 | LMNA (0.56) | TSHRDAONAPRTF2LMNA | |
| SCHEMBL4528180 | 0.91 | LMNA (0.56) | TSHRDAONAPRTF2LMNA |
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-106431091-B | Environment-friendly diatom ooze | 广东唐色新材料科技有限公司 | 2018-10-09 | — | — | CN | disclosed |
| CN-105732590-B | Pyrimido saturated fat ring diamine compounds and application thereof | 华东理工大学 | 2018-07-24 | — | — | CN | disclosed |
| CN-106431091-A | Environment-friendly diatom ooze | 徐伟明 | 2017-02-22 | — | — | CN | disclosed |
| CN-103052659-B | Catalyst components for the polymerization of olefins | 巴塞尔聚烯烃意大利有限责任公司 | 2016-12-21 | — | — | CN | disclosed |