Known targets — ChEMBL curated mechanism
MMP1MMP13MMP7MMP8polrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
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 | 6/20 | 0.81 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.81 |
| ▸ | SRD5A2 | P31213 | 3/20 | 0.71 |
| ▸ | TP53 | P04637 | 1/20 | 0.57 |
| ▸ | TSHR | P16473 | 1/20 | 0.57 |
| ▸ | CES2 | O00748 | 2/20 | 0.54 |
| ▸ | CES1 | P23141 | 2/20 | 0.54 |
| ▸ | LMNA | P02545 | 2/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.52 |
| ▸ | MEN1 | O00255 | 2/20 | 0.52 |
| ▸ | NPC1 | O15118 | 1/20 | 0.52 |
| ▸ | RAB9A | P51151 | 1/20 | 0.52 |
| ▸ | RXRA | P19793 | 1/20 | 0.52 |
| ▸ | RXRB | P28702 | 1/20 | 0.52 |
| ▸ | GSK3B | P49841 | 1/20 | 0.50 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.48 |
| ▸ | PKM | P14618 | 2/20 | 0.48 |
| ▸ | HTT | P42858 | 2/20 | 0.48 |
| ▸ | ATM | Q13315 | 2/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.48 |
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 SCHEMBL14722486 | 0.91 | ALDH1A1 (0.81) | ALDH1A1SMN1; SMN2SRD5A2TP53TSHR | |
| 4-Methylbenzoic Acid SCHEMBL1614894 | 0.91 | ALDH1A1 (0.81) | ALDH1A1SMN1; SMN2SRD5A2TP53TSHR | |
| Terephthalic Acid SCHEMBL11035242 | 0.90 | TSHR (0.71) | ALDH1A1SMN1; SMN2SRD5A2TP53TSHR | |
| Terephthalic Acid SCHEMBL30899317 | 0.90 | TSHR (0.71) | ALDH1A1SMN1; SMN2SRD5A2TP53TSHR | |
| Terephthalic Acid SCHEMBL15994097 | 0.90 | ALDH1A1 (1.00) | ALDH1A1SMN1; SMN2SRD5A2TP53TSHR | |
| 4-Methylbenzoic Acid SCHEMBL11366477 | 0.90 | ALDH1A1 (1.00) | ALDH1A1SMN1; SMN2SRD5A2TP53TSHR | |
| 4-Methylbenzoic Acid SCHEMBL93638 | 0.90 | ALDH1A1 (1.00) | ALDH1A1SMN1; SMN2SRD5A2TP53TSHR | |
| Terephthalic Acid SCHEMBL526449 | 0.90 | ALDH1A1 (1.00) | ALDH1A1SMN1; SMN2SRD5A2TP53TSHR | |
| 4-Methylbenzoic Acid SCHEMBL1331178 | 0.90 | ALDH1A1 (1.00) | ALDH1A1SMN1; SMN2SRD5A2TP53TSHR | |
| 4-Methylbenzoic Acid SCHEMBL147465 | 0.90 | ALDH1A1 (1.00) | ALDH1A1SMN1; SMN2SRD5A2TP53TSHR |
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 |
|---|---|---|---|---|---|---|---|
| CN-117844049-A | Calcium-zinc composite heat stabilizer and preparation method thereof | 台州联成新材料有限公司 | 2024-04-09 | — | — | CN | claimed |
| CN-117844049-A | Calcium-zinc composite heat stabilizer and preparation method thereof | 台州联成新材料有限公司 | 2024-04-09 | — | — | CN | disclosed |
| CN-104418869-A | Preparation method of rare-earth luminescent material containing Eu<3+> | TIANJIN HAIJING XINLI FOBRE CO LTD | 2015-03-18 | — | — | CN | disclosed |