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 | 0.50 |
| ▸ | DAO | P14920 | 1/20 | 0.50 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.50 |
| ▸ | KMO | O15229 | 1/20 | 0.47 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.46 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.46 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.46 |
| ▸ | SRD5A2 | P31213 | 2/20 | 0.45 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | CES2 | O00748 | 1/20 | 0.44 |
| ▸ | CES1 | P23141 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | PARP1 | P09874 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | RECQL | P46063 | 1/20 | 0.42 |
| ▸ | BLM | P54132 | 1/20 | 0.42 |
| ▸ | PMP22 | Q01453 | 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 | |
|---|---|---|---|---|
| Benzoic Acid SCHEMBL597061 | 0.94 | TSHR (0.56) | TSHRDAONAPRTKMOCHRM2 | |
| Benzoic Acid SCHEMBL28845890 | 0.91 | DAO (0.52) | TSHRDAONAPRTKMOCHRM2 | |
| Terephthalic Acid SCHEMBL27612294 | 0.87 | SRD5A2 (0.56) | TSHRKMOSRD5A2KMT2A | |
| Benzoic Acid SCHEMBL9666894 | 0.87 | TSHR (0.67) | TSHRDAONAPRTKMOCHRM2 | |
| Benzoic Acid SCHEMBL11708845 | 0.85 | RAB9A (0.48) | TSHRDAONAPRTKMONPC1 | |
| Isophthalic Acid SCHEMBL27861769 | 0.84 | KMO (0.62) | KMONPC1RAB9APOLBHSD17B10 | |
| Benzophenone SCHEMBL11575706 | 0.83 | ALDH1A1 (0.56) | TSHRKMOSRD5A2NPC1RAB9A | |
| Benzoic Acid SCHEMBL10631947 | 0.82 | DAO (0.42) | TSHRDAONAPRTKMOCHRM2 | |
| Benzoic Acid SCHEMBL10638250 | 0.81 | SRD5A2 (0.45) | TSHRDAONAPRTKMOCHRM2 | |
| Biphenyl SCHEMBL3046481 | 0.81 | TSHR (0.58) | TSHRDAONAPRTKMOSRD5A2 |
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 |
|---|---|---|---|---|---|---|---|
| US-8440745-B2 | Nonaqueous inkjet ink composition | DAI NIPPON TORYO CO., LTD. (JP) | 2013-05-14 | — | — | US | disclosed |
| EP-2284226-A1 | NONAQUEOUS INKJET INK COMPOSITION | Dai Nippon Toryo Co., Ltd. (JP) | 2011-02-16 | — | — | EP | disclosed |
| US-20110009537-A1 | Nonaqueous Inkjet Ink Composition | DAI NIPPON TORYO CO., LTD. (JP) | 2011-01-13 | — | — | US | disclosed |