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 | |
|---|---|---|---|---|
| ▸ | NAPRT | Q6XQN6 | 3/20 | 0.45 |
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | DAO | P14920 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KDM6B | O15054 | 1/20 | 0.41 |
| ▸ | KDM4A | O75164 | 1/20 | 0.41 |
| ▸ | KDM5C | P41229 | 1/20 | 0.41 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.41 |
| ▸ | KDM2A | Q9Y2K7 | 1/20 | 0.41 |
| ▸ | KDM3A | Q9Y4C1 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | APP | P05067 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.41 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL300666 | 0.84 | TDP2 (0.46) | KDM4ETDP1KMT2AMEN1ALDH1A1 | |
| Acetic Acid SCHEMBL9604110 | 0.75 | TDP1 (0.42) | TSHRKDM4ETDP1KMT2AMEN1 | |
| SCHEMBL388585 | 0.73 | TDP2 (0.48) | KDM4ETDP1KMT2AMEN1ALDH1A1 | |
| Benzoic Acid SCHEMBL28624673 | 0.71 | NAPRT (0.61) | NAPRTTSHRDAOKDM4ETDP1 | |
| Benzoic Acid SCHEMBL27993061 | 0.69 | NAPRT (0.64) | NAPRTTSHRDAOKDM4EKMT2A | |
| Dipyridyl SCHEMBL28117961 | 0.69 | KDM4E (0.75) | NAPRTTSHRDAOKDM4ESMN1; SMN2 | |
| Benzoic Acid SCHEMBL11599602 | 0.67 | TSHR (0.88) | NAPRTTSHRDAOTDP1ALDH1A1 | |
| Benzoic Acid SCHEMBL177939 | 0.67 | TSHR (0.88) | NAPRTTSHRDAOTDP1ALDH1A1 | |
| Benzoic Acid SCHEMBL3966600 | 0.67 | TSHR (1.00) | NAPRTTSHRDAOTDP1ALDH1A1 | |
| Benzoic Acid SCHEMBL7719037 | 0.67 | TSHR (1.00) | NAPRTTSHRDAOTDP1ALDH1A1 |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8367671-B2 | Pyrazolo[3.4-B]pyrazine compounds as p38 modulators and methods of use as anti-inflamatory agents | AMGEN INC. (US) | 2013-02-05 | — | — | US | disclosed |
| US-8314131-B2 | Triazole fused heteroaryl compounds and methods of use thereof | AMGEN INC. (US) | 2012-11-20 | — | — | US | disclosed |
| US-8080546-B2 | Pyrazolo-pyridinone derivatives and methods of use | AMGEN INC. (US) | 2011-12-20 | — | — | US | disclosed |
| US-20110105499-A1 | Pyrazolo-Pyrazinone Compounds and Methods of Use Thereof | AMGEN INC. (US) | 2011-05-05 | — | — | US | disclosed |
| US-7846944-B2 | Pyrazolo-pyridinone compounds and methods of use thereof | AMGEN INC. (US) | 2010-12-07 | — | — | US | disclosed |
| US-20100292234-A1 | TRIAZOLE FUSED HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF | AMGEN INC. (US) | 2010-11-18 | — | — | US | disclosed |
| EP-2152704-A1 | PYRAZOLO-PYRIDINONE COMPOUNDS, PROCESS FOR THEIR PREPARATION, AND THEIR PHARMACEUTICAL USE | Amgen, Inc (US) | 2010-02-17 | — | — | EP | disclosed |
| WO-2009117156-A1 | PYRAZOLO-PYRAZINONE COMPOUNDS AND METHODS OF USE THEREOF | AMGEN INC. (US) | 2009-09-24 | — | — | WO | disclosed |
| US-20090137582-A1 | Pyrazolo-pyridinone derivatives and methods of use | AMGEN INC. (US) | 2009-05-28 | — | — | US | disclosed |
| WO-2009055033-A1 | PYRAZOLO-PYRIDINONE DERIVATIVES AND METHODS OF USE | AMGEN INC. (US) | 2009-04-30 | — | — | WO | disclosed |
| WO-2009038784-A1 | TRIAZOLE FUSED HETEROARYL COMPOUNDS AS P38 KINASE INHIBITORS | AMGEN INC. (US) | 2009-03-26 | — | — | WO | disclosed |
| US-20090012299-A1 | Pyrazolo-pyridinone compounds and methods of use thereof | AMGEN INC. (US) | 2009-01-08 | — | — | US | disclosed |
| WO-2008137176-A1 | PYRAZOLO-PYRIDINONE COMPOUNDS, PROCESS FOR THEIR PREPARATION, AND THEIR PHARMACEUTICAL USE | AMGEN INC. (US) | 2008-11-13 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20100292234-A1 | TRIAZOLE FUSED HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF | MAPK1, MAPK3, CNKSR1 | NAPRT 2099/4885TSHR 1364/4885DAO 3174/4885 |
| US-20110105499-A1 | Pyrazolo-Pyrazinone Compounds and Methods of Use Thereof | MAPK1, MAP3K1, MAP4K2 | NAPRT 2091/4885TSHR 2083/4885DAO 2444/4885 |
| US-20090012299-A1 | Pyrazolo-pyridinone compounds and methods of use thereof | MAPK1, MAP3K1, MAP4K2 | NAPRT 1417/4885TSHR 2220/4885DAO 2163/4885 |
| US-20090137582-A1 | Pyrazolo-pyridinone derivatives and methods of use | IL1B, IL1R1, IL1A | NAPRT 1156/4885TSHR 1732/4885DAO 1548/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.