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 | |
|---|---|---|---|---|
| ▸ | HTR1D known ✓ | P28221 | 1/20 | 0.38 |
| ▸ | HTR1F | P30939 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 9/20 | 0.39 |
| ▸ | MAPT | P10636 | 11/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 10/20 | 0.39 |
| ▸ | MEN1 | O00255 | 9/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.39 |
| ▸ | HTT | P42858 | 4/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.38 |
| ▸ | HTR1A | P08908 | 1/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.38 |
| ▸ | HTR1E | P28566 | 1/20 | 0.38 |
| ▸ | HTR7 | P34969 | 1/20 | 0.38 |
| ▸ | HTR5A | P47898 | 1/20 | 0.38 |
| ▸ | HTR6 | P50406 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.37 |
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 SCHEMBL8549411 | 0.86 | ACHE (0.37) | LMNAMAPTKMT2AMEN1ALDH1A1 | |
| Benzoic Acid SCHEMBL8691851 | 0.86 | BCHE (0.37) | LMNAMAPTKMT2AMEN1ALDH1A1 | |
| Benzoic Acid SCHEMBL8191205 | 0.84 | HTR1F (0.45) | HTR1FLMNAMAPTKMT2AMEN1 | |
| Benzoic Acid SCHEMBL7141730 | 0.76 | HTR1F (0.34) | HTR1FMAPTKMT2AMEN1ALDH1A1 | |
| Benzoic Acid SCHEMBL7142175 | 0.75 | MAPT (0.34) | HTR1FLMNAMAPTKMT2AMEN1 | |
| Benzoic Acid SCHEMBL8549272 | 0.70 | NPC1 (0.35) | MAPTKMT2AMEN1ALDH1A1SMN1; SMN2 | |
| Benzoic Acid SCHEMBL8548987 | 0.70 | NPC1 (0.35) | LMNAMAPTKMT2AMEN1ALDH1A1 | |
| Benzoic Acid SCHEMBL8435537 | 0.68 | PDPK1 (0.33) | LMNAMAPT | |
| Benzoic Acid SCHEMBL8436196 | 0.67 | PDPK1 (0.33) | — | |
| SCHEMBL7138192 | 0.66 | HTR1F (0.80) | HTR1FMAPTKMT2AMEN1ALDH1A1 |
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 7 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 |
| US-5942536-A | USEFUL FOR TREATING MIGRAINE | ELI LILLY AND COMPANY (US) | 1999-08-24 | — | — | US | disclosed |
| WO-1997013512-A1 | N-[2-SUBSTITUTED-3-(2-AMINOETHYL)-1H-INDOL-5-YL]-AMIDES: NEW 5-HT1F AGONISTS | ELI LILLY AND COMPANY (US) | 1997-04-17 | — | — | WO | 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 |