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 | 2/20 | 0.67 |
| ▸ | DAO | P14920 | 1/20 | 0.67 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.67 |
| ▸ | CES2 | O00748 | 3/20 | 0.56 |
| ▸ | CES1 | P23141 | 3/20 | 0.56 |
| ▸ | SRD5A2 | P31213 | 2/20 | 0.56 |
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.48 |
| ▸ | TNKS | O95271 | 1/20 | 0.48 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.48 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.48 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.48 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.48 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.48 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.48 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.48 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.48 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.48 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.48 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| Benzoic Acid SCHEMBL8557507 | 1.00 | TSHR (0.67) | TSHRDAONAPRTCES2CES1 | |
| Benzoic Acid SCHEMBL8556929 | 0.98 | TSHR (0.64) | TSHRDAONAPRTCES2CES1 | |
| Benzoic Acid SCHEMBL8556931 | 0.98 | TSHR (0.64) | TSHRDAONAPRTCES2CES1 | |
| Benzoic Acid SCHEMBL30087353 | 0.95 | TSHR (0.74) | TSHRDAONAPRTCES2CES1 | |
| Benzoic Acid SCHEMBL3235664 | 0.95 | TSHR (0.74) | TSHRDAONAPRTCES2CES1 | |
| Benzoic Acid SCHEMBL11482567 | 0.95 | TSHR (0.74) | TSHRDAONAPRTCES2CES1 | |
| Benzoic Acid SCHEMBL3235670 | 0.95 | TSHR (0.74) | TSHRDAONAPRTCES2CES1 | |
| Benzoic Acid SCHEMBL1822834 | 0.87 | TSHR (0.88) | TSHRDAONAPRTCES2CES1 | |
| Benzoic Acid SCHEMBL28109660 | 0.86 | TSHR (0.61) | TSHRDAONAPRTCES2CES1 | |
| Terephthalic Acid SCHEMBL942934 | 0.85 | TSHR (0.71) | TSHRDAONAPRTCES2CES1 |
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-0839148-A1 | (R)-(Z)-1-AZABICYCLO 2.2.1]HEPTAN-3-ONE,O- 3-(3-METHOXYPHENYL)-2-PROPYNYL]OXIME MALEATE AS A PHARMACEUTICAL AGENT | WARNER-LAMBERT COMPANY (US) | 1998-05-06 | — | — | EP | disclosed |
| WO-1996040687-A1 | (R)-(Z)-1-AZABICYCLO[2.2.1]HEPTAN-3-ONE,O-[3-(3-METHOXYPHENYL)-2-PROPYNYL]OXIME MALEATE AS A PHARMACEUTICAL AGENT | WARNER-LAMBERT COMPANY (US) | 1996-12-19 | — | — | WO | disclosed |
| US-5534522-A | ANALGESICS, COGNITION ACTIVATORS | WARNER-LAMBERT COMPANY (US) | 1996-07-09 | — | — | US | disclosed |