Known targets — ChEMBL curated mechanism
ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA
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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE known ✓ | P22303 | 4/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.46 |
| ▸ | BCHE | P06276 | 1/20 | 0.44 |
| ▸ | TYR | P14679 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.41 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.40 |
| ▸ | CNR2 | P34972 | 1/20 | 0.40 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.40 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.40 |
| ▸ | IDO1 | P14902 | 2/20 | 0.39 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.39 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.39 |
| ▸ | MGLL | Q99685 | 1/20 | 0.38 |
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-Cymene SCHEMBL3697148 | 0.94 | ACHE (0.47) | ACHETDP1CHRNA7BCHETYR | |
| P-Cymene SCHEMBL2570693 | 0.94 | ACHE (0.47) | ACHETDP1CHRNA7BCHETYR | |
| P-Cymene SCHEMBL3996547 | 0.94 | ACHE (0.47) | ACHETDP1CHRNA7BCHETYR | |
| P-Cymene SCHEMBL23388160 | 0.94 | ACHE (0.47) | ACHETDP1CHRNA7BCHETYR | |
| P-Cymene SCHEMBL29369703 | 0.94 | ACHE (0.47) | ACHETDP1CHRNA7BCHETYR | |
| P-Cymene SCHEMBL23388162 | 0.94 | ACHE (0.47) | ACHETDP1CHRNA7BCHETYR | |
| P-Cymene SCHEMBL5179600 | 0.94 | ACHE (0.47) | ACHETDP1CHRNA7BCHETYR | |
| P-Cymene SCHEMBL1697748 | 0.94 | ACHE (0.53) | ACHETDP1CHRNA7BCHETYR | |
| P-Cymene SCHEMBL1143 | 0.94 | ACHE (0.53) | ACHETDP1CHRNA7BCHETYR | |
| P-Cymene SCHEMBL3684076 | 0.91 | ACHE (0.50) | ACHETDP1CHRNA7BCHETYR |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116948060-A | Method for hydrogenation of nitrile rubber by single ruthenium catalyst | 西安凯立新材料股份有限公司 | 2023-10-27 | — | — | CN | claimed |
| CN-114560890-A | Preparation method of chiral diamine coordination metal catalyst | 浙江微通催化新材料有限公司 | 2022-05-31 | — | — | CN | claimed |
| CN-112538573-A | Method for recovering ruthenium from ruthenium-containing waste liquid | 铜陵欣诺科新材料有限公司 | 2021-03-23 | — | — | CN | claimed |
| CN-116948060-A | Method for hydrogenation of nitrile rubber by single ruthenium catalyst | 西安凯立新材料股份有限公司 | 2023-10-27 | — | — | CN | disclosed |
| CN-116178446-A | Aryl piano stool metal ruthenium complex of oxidized iso-aporphine alkaloid, and synthetic method and application thereof | 广西师范大学 | 2023-05-30 | — | — | CN | disclosed |
| CN-116023417-A | N-heterocyclic carbene type cyclometalated ruthenium complex of oxidized iso-aporphine alkaloid, and synthetic method and application thereof | 广西师范大学 | 2023-04-28 | — | — | CN | disclosed |
| CN-114560890-A | Preparation method of chiral diamine coordination metal catalyst | 浙江微通催化新材料有限公司 | 2022-05-31 | — | — | CN | disclosed |
| CN-112538573-B | Method for recovering ruthenium from ruthenium-containing waste liquid | 铜陵欣诺科新材料有限公司 | 2022-04-15 | — | — | CN | disclosed |
| CN-112538573-A | Method for recovering ruthenium from ruthenium-containing waste liquid | 铜陵欣诺科新材料有限公司 | 2021-03-23 | — | — | CN | disclosed |
| EP-0855935-B1 | CHIRAL SOLID CATALYST, ITS PREPARATION AND ITS USE FOR THE PRODUCTION OF SUBSTANTIALLY ENANTIOMERICALLY PURE PRODUCTS | LEUVEN K U RES & DEV (BE) | 2001-06-27 | — | — | EP | disclosed |
| US-5997840-A | A BEA TOPOLOGY ZEOLITE AND A METAL-BINAP COMPLEX | K.V. LEUVEN RESEARCH & DEVELOPMENT (BE) | 1999-12-07 | — | — | US | disclosed |
| EP-0855935-A1 | CHIRAL SOLID CATALYST, ITS PREPARATION AND ITS USE FOR THE PRODUCTION OF SUBSTANTIALLY ENANTIOMERICALLY PURE PRODUCTS | K.U. Leuven Research & Development (BE) | 1998-08-05 | — | — | EP | disclosed |
| WO-1997014500-A1 | CHIRAL SOLID CATALYST, ITS PREPARATION AND ITS USE FOR THE PRODUCTION OF SUBSTANTIALLY ENANTIOMERICALLY PURE PRODUCTS | K.U. LEUVEN RESEARCH & DEVELOPMENT (BE) | 1997-04-24 | — | — | WO | disclosed |
| CN-1131940-A | Hydrogenation | PFIZER RES & DEV (IE) | 1996-09-25 | — | — | CN | disclosed |
| US-5508460-A | Method of synthesizing arylsilanes | TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) | 1996-04-16 | — | — | US | disclosed |
| WO-1996005207-A1 | METHOD OF SYNTHESIZING ARYLSILANES | THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) | 1996-02-22 | — | — | WO | disclosed |