Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.42 |
| ▸ | PNMT | P11086 | 3/20 | 0.37 |
| ▸ | AHR | P35869 | 2/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.33 |
| ▸ | IDO1 | P14902 | 3/20 | 0.32 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.32 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.30 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.30 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9016045 | 0.88 | KMT2A (0.34) | PNMTIDO1KMT2A | |
| SCHEMBL4465598 | 0.80 | CYP3A4 (0.43) | CYP3A4MAPK1PNMTAHRTDP1 | |
| SCHEMBL9482589 | 0.79 | TAAR1 (0.40) | CYP3A4MAPK1PNMTAHRTDP1 | |
| SCHEMBL11754304 | 0.79 | PNMT (0.34) | CYP3A4MAPK1PNMTTAAR1IDO1 | |
| SCHEMBL28935815 | 0.77 | MAPK3 (0.31) | MAPK1 | |
| SCHEMBL18190415 | 0.77 | PNMT (0.33) | CYP3A4MAPK1PNMTTAAR1IDO1 | |
| SCHEMBL31010416 | 0.77 | MAPK3 (0.31) | MAPK1 | |
| SCHEMBL2090165 | 0.76 | CYP3A4 (0.40) | CYP3A4MAPK1PNMTAHRTDP1 | |
| SCHEMBL901121 | 0.76 | CYP3A4 (0.40) | CYP3A4MAPK1PNMTAHRTDP1 | |
| SCHEMBL283449 | 0.76 | PNMT (0.65) | CYP3A4PNMTTAAR1IDO1CYP2A6 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111796040-B | Method for separating isomeride chlorobenzene and toluene chloride by adopting gas chromatography-mass spectrometry | 南京海关工业产品检测中心 | 2021-03-16 | — | — | CN | disclosed |
| CN-111796040-A | Method for separating isomeride chlorobenzene and toluene chloride by adopting gas chromatography-mass spectrometry | 南京海关工业产品检测中心 | 2020-10-20 | — | — | CN | disclosed |
| US-7825141-B2 | Epothilone derivatives | NOVARTIS AG (CH) | 2010-11-02 | — | — | US | disclosed |
| US-4248988-A | CATALYST SYSTEM COMPRISING COBALT OR NICKEL COMPONENT, HYDROCARBYL ALUMINUM, AND HALOGENATED HYDROCARBON | THE FIRESTONE TIRE & RUBBER COMPANY (US) | 1981-02-03 | — | — | US | disclosed |
| US-4029687-A | HERBICIDES | CIBA-GEIGY AG (CH) | 1977-06-14 | — | — | US | disclosed |
| US-4004914-A | HERBICIDES | CIBA-GEIGY AG (CH) | 1977-01-25 | — | — | US | disclosed |