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 | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 8/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | HTR1F | P30939 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 7/20 | 0.32 |
| ▸ | MEN1 | O00255 | 6/20 | 0.32 |
| ▸ | ATM | Q13315 | 4/20 | 0.32 |
| ▸ | GAA | P10253 | 3/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | PPARG | P37231 | 1/20 | 0.32 |
| ▸ | PSMD14 | O00487 | 1/20 | 0.32 |
| ▸ | RECQL | P46063 | 1/20 | 0.32 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.31 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
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 SCHEMBL7141730 | 0.94 | HTR1F (0.34) | MAPTALDH1A1MAPK1HTR1FNPSR1 | |
| Benzoic Acid SCHEMBL8552961 | 0.86 | MEN1 (0.30) | MAPK1KMT2AMEN1 | |
| Benzoic Acid SCHEMBL8548262 | 0.86 | — | — | |
| Benzoic Acid SCHEMBL8549809 | 0.81 | FYN (0.31) | — | |
| Benzoic Acid SCHEMBL8551806 | 0.81 | MEN1 (0.31) | MAPK1NPSR1KMT2AMEN1LMNA | |
| Benzoic Acid SCHEMBL8191205 | 0.78 | HTR1F (0.45) | MAPTALDH1A1MAPK1HTR1FNPSR1 | |
| Benzoic Acid SCHEMBL7141174 | 0.75 | HTR1F (0.41) | MAPTALDH1A1HTR1FSMN1; SMN2KMT2A | |
| Benzoic Acid SCHEMBL8436196 | 0.72 | PDPK1 (0.33) | MAPK1 | |
| Benzoic Acid SCHEMBL8435537 | 0.70 | PDPK1 (0.33) | MAPTMAPK1LMNA | |
| Benzoic Acid SCHEMBL8709658 | 0.69 | TMEM97 (0.33) | KMT2AMEN1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0768301-B1 | N-(2-substituted-3-(2-aminoethyl)-1H-indol-5-yl)-amides as new 5-HT1F agonists | LILLY CO ELI (US) | 2003-04-02 | — | — | EP | disclosed |
| US-6126932-A | INSOLUBLE POLYMER BEARING PENDANT SIDE CHAINS, SAID SIDE CHAINS EACH TERMINATING WITH THE 1-(3-(1-PYRROLIDINYL)-PROPYL)-3-ETHYLCARBODIIMIDE MOIETY. | ELI LILLY AND COMPANY (US) | 2000-10-03 | — | — | US | disclosed |
| EP-0994109-A2 | 1-(3-(1-Pyrrolidinyl)propyl)-3-ethylcarbodiimide and a solid phase coupling agent | ELI LILLY AND COMPANY (US) | 2000-04-19 | — | — | EP | disclosed |
| US-5998630-A | A 1-(3-(1-PYRROLIDINYL)PROPY)-3-ETHYLCARBODIIMIDE | ELI LILLY AND COMPANY (US) | 1999-12-07 | — | — | US | disclosed |
| EP-0768301-A1 | N-(2-substituted-3-(2-aminoethyl)-1H-indol-5-yl)-amides as new 5-HT1F agonists | ELI LILLY AND COMPANY (US) | 1997-04-16 | — | — | EP | disclosed |