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 | 3/20 | 0.67 |
| ▸ | DAO | P14920 | 1/20 | 0.67 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.67 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.65 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.65 |
| ▸ | CES2 | O00748 | 3/20 | 0.58 |
| ▸ | CES1 | P23141 | 3/20 | 0.58 |
| ▸ | SRD5A2 | P31213 | 3/20 | 0.58 |
| ▸ | LMNA | P02545 | 2/20 | 0.52 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.52 |
| ▸ | ACHE | P22303 | 1/20 | 0.52 |
| ▸ | NPC1 | O15118 | 2/20 | 0.52 |
| ▸ | RAB9A | P51151 | 2/20 | 0.52 |
| ▸ | MEN1 | O00255 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.52 |
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | POLB | P06746 | 2/20 | 0.48 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | RXRA | P19793 | 1/20 | 0.47 |
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 SCHEMBL5706549 | 0.95 | TSHR (0.74) | TSHRDAONAPRTSMN1; SMN2ALDH1A1 | |
| Benzoic Acid SCHEMBL10436416 | 0.95 | TSHR (0.74) | TSHRDAONAPRTSMN1; SMN2ALDH1A1 | |
| Benzoic Acid SCHEMBL27993303 | 0.93 | TSHR (0.70) | TSHRDAONAPRTSMN1; SMN2ALDH1A1 | |
| Benzoic Acid SCHEMBL28256202 | 0.93 | TSHR (0.70) | TSHRDAONAPRTSMN1; SMN2ALDH1A1 | |
| Benzoic Acid SCHEMBL28182674 | 0.91 | TSHR (0.67) | TSHRDAONAPRTSMN1; SMN2ALDH1A1 | |
| Benzoic Acid SCHEMBL27639083 | 0.91 | TSHR (0.67) | TSHRDAONAPRTSMN1; SMN2ALDH1A1 | |
| Terephthalic Acid SCHEMBL28195120 | 0.90 | ALDH1A1 (0.80) | TSHRDAONAPRTSMN1; SMN2ALDH1A1 | |
| Benzoic Acid SCHEMBL3897333 | 0.90 | ALDH1A1 (0.80) | TSHRDAONAPRTSMN1; SMN2ALDH1A1 | |
| Terephthalic Acid SCHEMBL7744567 | 0.90 | ALDH1A1 (0.80) | TSHRDAONAPRTSMN1; SMN2ALDH1A1 | |
| Benzoic Acid SCHEMBL6291861 | 0.90 | TSHR (0.82) | TSHRDAONAPRTSMN1; SMN2ALDH1A1 |
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-1299182-A2 | METHODS FOR ANALYSIS OF HETEROGENEOUS CATALYSTS IN A MULTI-VARIABLE SCREENING REACTOR | Symyx Technologies, Inc. (US) | 2003-04-09 | — | — | EP | disclosed |
| WO-2002004112-A9 | METHODS FOR ANALYSIS OF HETEROGENEOUS CATALYSTS IN A MULTI-VARIABLE SCREENING REACTOR | SYMYX TECHNOLOGIES INC (US) | 2002-10-10 | — | — | WO | disclosed |
| WO-2002004112-A2 | METHODS FOR ANALYSIS OF HETEROGENEOUS CATALYSTS IN A MULTI-VARIABLE SCREENING REACTOR | SYMYX TECHNOLOGIES, INC. (US) | 2002-01-17 | — | — | WO | disclosed |