Known targets — ChEMBL curated mechanism
CACNA1CCACNA1DCACNA1FCACNA1SDPP4HTR1BHTR1D
The experimentally established mechanism targets of 4-Methylbenzoic 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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.85 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.85 |
| ▸ | SRD5A2 | P31213 | 4/20 | 0.74 |
| ▸ | CES2 | O00748 | 4/20 | 0.74 |
| ▸ | CES1 | P23141 | 4/20 | 0.74 |
| ▸ | TSHR | P16473 | 2/20 | 0.70 |
| ▸ | DAO | P14920 | 1/20 | 0.70 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.70 |
| ▸ | NPC1 | O15118 | 3/20 | 0.65 |
| ▸ | RAB9A | P51151 | 3/20 | 0.65 |
| ▸ | MEN1 | O00255 | 1/20 | 0.65 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.65 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.61 |
| ▸ | TP53 | P04637 | 1/20 | 0.60 |
| ▸ | LMNA | P02545 | 2/20 | 0.59 |
| ▸ | POLB | P06746 | 1/20 | 0.59 |
| ▸ | MAPT | P10636 | 1/20 | 0.55 |
| ▸ | RXRA | P19793 | 1/20 | 0.54 |
| ▸ | RXRB | P28702 | 1/20 | 0.54 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| 4-Methylbenzoic Acid SCHEMBL7940172 | 1.00 | ALDH1A1 (0.85) | ALDH1A1SMN1; SMN2SRD5A2CES2CES1 | |
| Benzoic Acid SCHEMBL3897333 | 0.97 | ALDH1A1 (0.80) | ALDH1A1SMN1; SMN2SRD5A2CES2CES1 | |
| 4-Methylbenzoic Acid SCHEMBL27936299 | 0.95 | ALDH1A1 (0.94) | ALDH1A1SMN1; SMN2SRD5A2CES2CES1 | |
| Benzoic Acid SCHEMBL10436416 | 0.92 | TSHR (0.74) | ALDH1A1SMN1; SMN2SRD5A2CES2CES1 | |
| Benzoic Acid SCHEMBL5706549 | 0.92 | TSHR (0.74) | ALDH1A1SMN1; SMN2SRD5A2CES2CES1 | |
| Terephthalic Acid SCHEMBL7744567 | 0.92 | ALDH1A1 (0.80) | ALDH1A1SMN1; SMN2SRD5A2CES2CES1 | |
| Terephthalic Acid SCHEMBL28195120 | 0.92 | ALDH1A1 (0.80) | ALDH1A1SMN1; SMN2SRD5A2CES2CES1 | |
| Terephthalic Acid SCHEMBL526449 | 0.92 | ALDH1A1 (1.00) | ALDH1A1SMN1; SMN2SRD5A2CES2CES1 | |
| 4-Methylbenzoic Acid SCHEMBL93638 | 0.92 | ALDH1A1 (1.00) | ALDH1A1SMN1; SMN2SRD5A2CES2CES1 | |
| Terephthalic Acid SCHEMBL15994097 | 0.92 | ALDH1A1 (1.00) | ALDH1A1SMN1; SMN2SRD5A2CES2CES1 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108884171-B | Cellulose ester and molded article thereof | 株式会社大赛璐 | 2022-02-18 | — | — | CN | disclosed |
| CN-108884171-A | Cellulose esters and its formed body | 株式会社大赛璐 | 2018-11-23 | — | — | CN | disclosed |
| EP-2751061-A1 | UNSYMMETRICAL ALPHA, GAMMA-ALKYLENE-DI-P-TOLUATES, THE PRODUCTION THEREOF AND THEIR USE | Invista Technologies S.a r.l. (CH) | 2014-07-09 | — | — | EP | disclosed |
| EP-2748247-A1 | POLYALKYLENE GLYCOL-DI-P-TOLUATES AND -BENZOATES, METHOD FOR THE PRODUCTION THEREOF AND THEIR USE | Invista Technologies S.a r.l. (CH) | 2014-07-02 | — | — | EP | disclosed |
| EP-2748246-A1 | 1,2-ALKYLENE-DI-P-TOLUATES AND -BENZOATES, METHOD FOR THE PRODUCTION THEREOF AND THEIR USE | Invista Technologies S.a r.l. (CH) | 2014-07-02 | — | — | EP | disclosed |
| WO-2013026917-A1 | POLYALKYLENE GLYCOL-DI-P-TOLUATES AND -BENZOATES, METHOD FOR THE PRODUCTION THEREOF AND THEIR USE | INVISTA TECHNOLOGIES S.À.R.L (CH) | 2013-02-28 | — | — | WO | disclosed |
| WO-2013026918-A1 | UNSYMMETRICAL Α,Γ-ALKYLENE-DI-P-TOLUATES, THE PRODUCTION THEREOF AND THEIR USE | INVISTA TECHNOLOGIES S.À.R.L (CH) | 2013-02-28 | — | — | WO | disclosed |
| WO-2013026916-A1 | 1,2-ALKYLENE-DI-P-TOLUATES AND -BENZOATES, METHOD FOR THE PRODUCTION THEREOF AND THEIR USE | INVISTA TECHNOLOGIES S.À.R.L (CH) | 2013-02-28 | — | — | WO | disclosed |
| CN-1182053-C | Process for treating waste water generated in production of refined terephthalic acid | 郝 彤 | 2004-12-29 | — | — | CN | disclosed |
| CN-1315295-A | Process for treating waste water generated in production of refined terephthalic acid | HAO TONG (CN) | 2001-10-03 | — | — | CN | disclosed |