Known targets — ChEMBL curated mechanism
MMP1MMP13MMP7MMP8polrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of O-Tolylamine. 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 | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.71 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.71 |
| ▸ | CD44 | P16070 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 3/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.43 |
| ▸ | CASP1 | P29466 | 1/20 | 0.43 |
| ▸ | CASP7 | P55210 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | ACHE | P22303 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.42 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| O-Tolylamine SCHEMBL3960895 | 0.87 | CYP3A4 (0.75) | CYP3A4TDP1CD44ALDH1A1HSD17B10 | |
| O-Tolylamine SCHEMBL15789 | 0.87 | — | — | |
| O-Tolylamine SCHEMBL8469060 | 0.87 | CYP3A4 (0.94) | CYP3A4TDP1CD44ALDH1A1TSHR | |
| O-Tolylamine SCHEMBL31145800 | 0.87 | — | — | |
| O-Tolylamine SCHEMBL9613766 | 0.87 | CYP3A4 (0.94) | CYP3A4TDP1CD44ALDH1A1TSHR | |
| O-Tolylamine SCHEMBL29441724 | 0.87 | — | — | |
| O-Tolylamine SCHEMBL2171758 | 0.84 | — | — | |
| O-Tolylamine SCHEMBL439510 | 0.84 | — | — | |
| O-Tolylamine SCHEMBL21494153 | 0.84 | — | — | |
| O-Tolylamine SCHEMBL9498667 | 0.84 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116947672-A | Continuous preparation process of acetoacetanilide products | 南通醋酸化工股份有限公司 | 2023-10-27 | — | — | CN | disclosed |
| CN-102781975-B | Method for producing polymer nanocomposites | 朗盛国际股份公司 | 2016-06-08 | — | — | CN | disclosed |
| CN-102781976-B | For the production of the ionomeric method of halobutyl | LANXESS International S.A. (CH) | 2015-12-02 | — | — | CN | disclosed |
| CN-103833561-A | Method for N-arylation of alkane amine | UNIV HENGYANG NORMAL | 2014-06-04 | — | — | CN | disclosed |
| CN-102781976-A | Process for production of halobutyl ionomers | LANXESS INT SA | 2012-11-14 | — | — | CN | disclosed |
| CN-102781975-A | Method for producing polymer nanocomposites | LANXESS INT SA | 2012-11-14 | — | — | CN | disclosed |
| CN-101402537-B | Uses of 2-pyridine-beta ketone compounds | GUANGZHOU INST BIOMED & HEALTH | 2011-04-27 | — | — | CN | disclosed |
| CN-101402537-A | Uses of 2-pyridine-beta ketone compounds | GUANGZHOU INST BIOMED & HEALTH (CN) | 2009-04-08 | — | — | CN | disclosed |
| US-5573585-A | Molecular sieves containing azo dyes | Hoelderich, Wolfgang (DE) | 1996-11-12 | — | — | US | disclosed |