Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.42 |
| ▸ | CASP6 | P55212 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.34 |
| ▸ | KDM5A | P29375 | 1/20 | 0.33 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL24312960 | 0.68 | CYP2D6 (0.58) | CYP2C19CYP2C9CYP1A2CYP2D6KDM4E | |
| SCHEMBL8567845 | 0.65 | KDM4E (0.43) | CYP2C19CYP1A2CYP2D6KDM4EALDH1A1 | |
| SCHEMBL19158298 | 0.65 | CYP2C9 (0.37) | CYP2C19CYP2E1CYP2A6CYP2C9CYP2B6 | |
| SCHEMBL16547507 | 0.64 | CYP2C9 (0.52) | CYP2C19CYP2E1CYP2A6CYP2C9CYP2B6 | |
| SCHEMBL12075252 | 0.63 | KDM4E (0.56) | CYP2C19CYP2E1CYP2A6CYP2C9CYP2B6 | |
| SCHEMBL17729908 | 0.63 | TRPV1 (0.44) | CYP2C19CYP2C9MEN1KMT2ACYP1A2 | |
| SCHEMBL16891571 | 0.62 | CYP2C19 (0.46) | CYP2C19CYP2E1CYP2A6CYP2C9CYP2B6 | |
| SCHEMBL18806853 | 0.61 | CYP2C9 (0.57) | CYP2C19CYP2E1CYP2A6CYP2C9CYP2B6 | |
| SCHEMBL3644924 | 0.60 | CYP2A6 (1.00) | CYP2C19CYP2E1CYP2A6CYP2C9CYP2B6 | |
| SCHEMBL12075160 | 0.59 | CYP2C9 (0.50) | CYP2C19CYP2E1CYP2A6CYP2C9CYP2B6 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2020108516-A1 | NITROGEN-CONTAINING HETEROARYL DERIVATIVE REGULATOR, PREPARATION METHOD THEREFOR, AND USES THEREOF | 江苏豪森药业集团有限公司 | 2020-06-04 | — | — | WO | disclosed |