Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of P-Cymene. 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 | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 3/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | BCHE | P06276 | 1/20 | 0.45 |
| ▸ | TYR | P14679 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.41 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | CNR2 | P34972 | 1/20 | 0.41 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.41 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.41 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | CASP3 | P42574 | 1/20 | 0.40 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| P-Xylene SCHEMBL9492886 | 0.83 | ACHE (0.62) | ACHEHSD17B10MAPTALDH1A1TDP1 | |
| P-Cymene SCHEMBL1073347 | 0.81 | ACHE (0.47) | ACHEBCHETYRMAPK1TDP1 | |
| P-Cymene SCHEMBL27355344 | 0.81 | ACHE (0.47) | ACHEBCHETYRMAPK1TDP1 | |
| P-Cymene SCHEMBL1143 | 0.81 | ACHE (0.53) | ACHEBCHETYRTDP1CNR2 | |
| P-Cymene SCHEMBL1697748 | 0.81 | ACHE (0.53) | ACHEBCHETYRTDP1CNR2 | |
| Isopropylbenzene SCHEMBL29115276 | 0.80 | GSR (0.44) | TYRMAPTALDH1A1NPSR1TDP1 | |
| P-Cymene SCHEMBL2404247 | 0.79 | CYP2C9 (0.52) | ACHEBCHETYRMAPTMAPK1 | |
| P-Cymene SCHEMBL27629230 | 0.79 | ACHE (0.59) | ACHEHSD17B10MAPTALDH1A1ATM | |
| P-Cymene SCHEMBL31488468 | 0.78 | ACHE (0.45) | ACHEBCHETYRMAPTMAPK1 | |
| P-Cymene SCHEMBL3684076 | 0.78 | ACHE (0.50) | ACHEBCHETYRTDP1CNR2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110746293-B | Process for preparing p-toluic acid by continuous catalytic oxidation | 宁夏德昊科技产业有限公司 | 2022-02-11 | — | — | CN | disclosed |
| CN-112851496-A | Preparation method of p-toluic acid | 湖北鸿鑫化工有限公司 | 2021-05-28 | — | — | CN | disclosed |
| CN-110746293-A | Process for preparing p-toluic acid by continuous catalytic oxidation | 宁夏德昊科技产业有限公司 | 2020-02-04 | — | — | CN | disclosed |
| CN-110526815-A | A kind of synthetic method of p-methylbenzoic acid | WUXUE YANGTAI CHEMICAL CO LTD | 2019-12-03 | — | — | CN | disclosed |
| CN-101177393-A | Process for producing methyl benzoic acid by paraxylene | YANGZHOU LIUSHI CHEMICAL CO LT (CN) | 2008-05-14 | — | — | CN | disclosed |