Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.59 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.59 |
| ▸ | AHR | P35869 | 6/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 3/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.38 |
| ▸ | NOTUM | Q6P988 | 2/20 | 0.37 |
| ▸ | PNMT | P11086 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL29368277 | 0.95 | CYP3A4 (0.62) | CYP3A4MAPK1AHRTDP1CYP2A6 | |
| SCHEMBL348089 | 0.95 | CYP3A4 (0.62) | CYP3A4MAPK1AHRTDP1CYP2A6 | |
| SCHEMBL27259983 | 0.91 | CYP3A4 (0.59) | CYP3A4MAPK1AHRTDP1CYP2A6 | |
| Ammonia Solution, Strong SCHEMBL28194262 | 0.91 | CYP3A4 (0.59) | CYP3A4MAPK1AHRTDP1CYP2A6 | |
| Fluoride SCHEMBL27699550 | 0.91 | CYP3A4 (0.59) | CYP3A4MAPK1AHRTDP1CYP2A6 | |
| Methane SCHEMBL23466796 | 0.91 | CYP3A4 (0.59) | CYP3A4MAPK1AHRTDP1CYP2A6 | |
| SCHEMBL28338848 | 0.91 | CYP3A4 (0.59) | CYP3A4MAPK1AHRTDP1CYP2A6 | |
| Hydrochloric Acid SCHEMBL27691381 | 0.91 | CYP3A4 (0.59) | CYP3A4MAPK1AHRTDP1CYP2A6 | |
| Ethane SCHEMBL28208240 | 0.87 | CYP3A4 (0.56) | CYP3A4MAPK1AHRTDP1CYP2A6 | |
| Ethylene SCHEMBL27391449 | 0.87 | CYP3A4 (0.56) | CYP3A4MAPK1AHRTDP1CYP2A6 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105541698-B | A kind of preparation method of the bromo- 2- trifluoromethyl pyridines of 5- | 滨海康杰化学有限公司 | 2018-07-10 | — | — | CN | claimed |
| CN-105541698-A | Preparation method of 2-trifluoromethyl-5-bromopyridine | BINHAI KANGJIE CHEMICAL CO LTD | 2016-05-04 | — | — | CN | claimed |
| CN-105541698-B | A kind of preparation method of the bromo- 2- trifluoromethyl pyridines of 5- | 滨海康杰化学有限公司 | 2018-07-10 | — | — | CN | disclosed |
| CN-105541698-A | Preparation method of 2-trifluoromethyl-5-bromopyridine | BINHAI KANGJIE CHEMICAL CO LTD | 2016-05-04 | — | — | CN | disclosed |