Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 5/20 | 0.39 |
| ▸ | RAB9A | P51151 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.36 |
| ▸ | GAA | P10253 | 3/20 | 0.36 |
| ▸ | HPGD | P15428 | 3/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.36 |
| ▸ | CASP1 | P29466 | 2/20 | 0.36 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.36 |
| ▸ | CASP7 | P55210 | 1/20 | 0.36 |
| ▸ | ATR | Q13535 | 2/20 | 0.36 |
| ▸ | GLA | P06280 | 2/20 | 0.35 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.35 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.35 |
| ▸ | SYK | P43405 | 1/20 | 0.35 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.35 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.35 |
| ▸ | PIM1 | P11309 | 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 | |
|---|---|---|---|---|
| SCHEMBL24591121 | 0.78 | NEK2 (0.33) | NPC1RAB9AKDM4EALDH1A1GAA | |
| SCHEMBL21167339 | 0.77 | MET (0.43) | METCYP2C9 | |
| SCHEMBL12487776 | 0.68 | MET (0.67) | METCYP2C9 | |
| SCHEMBL2174717 | 0.64 | CYP2A6 (0.63) | CYP2A6KDM4EALDH1A1SMN1; SMN2HSD17B10 | |
| SCHEMBL7021081 | 0.61 | CYP2A6 (0.68) | CYP2A6NPC1RAB9AALDH1A1HPGD | |
| SCHEMBL2175943 | 0.61 | CYP2A6 (0.63) | CYP2A6NPC1RAB9AKDM4EALDH1A1 | |
| SCHEMBL10423641 | 0.61 | CYP2A6 (0.63) | CYP2A6NPC1RAB9AKDM4EALDH1A1 | |
| SCHEMBL27401952 | 0.59 | NPC1 (0.47) | CYP2A6NPC1RAB9AKDM4EALDH1A1 | |
| SCHEMBL11366513 | 0.59 | SYK (0.59) | NPC1RAB9AKDM4EALDH1A1GAA | |
| SCHEMBL21167662 | 0.59 | MET (0.37) | KDM4EALDH1A1SMN1; SMN2HSD17B10CASP1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3511330-B1 | SYNTHETIC INTERMEDIATE USEFUL IN THE PREPARATION OF TRIAZOLOPYRIDINE C-MET INHIBITORS | HUTCHISON MEDIPHARMA LTD (CN) | 2020-09-30 | — | — | EP | disclosed |
| EP-3511330-A1 | SYNTHETIC INTERMEDIATE USEFUL IN THE PREPARATION OF TRIAZOLOPYRIDINE C-MET INHIBITORS | Hutchison Medipharma Limited (CN) | 2019-07-17 | — | — | EP | disclosed |