Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | METAP1 | P53582 | 1/20 | 0.39 |
| ▸ | BDKRB1 | P46663 | 1/20 | 0.39 |
| ▸ | ATR | Q13535 | 1/20 | 0.38 |
| ▸ | CTSS | P25774 | 4/20 | 0.37 |
| ▸ | CTSK | P43235 | 3/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | NAMPT | P43490 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | CTSL | P07711 | 1/20 | 0.36 |
| ▸ | CTSB | P07858 | 1/20 | 0.36 |
| ▸ | AURKA | O14965 | 2/20 | 0.36 |
| ▸ | RPS6KB1 | P23443 | 2/20 | 0.36 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.36 |
| ▸ | PLCG1 | P19174 | 1/20 | 0.35 |
| ▸ | JAK2 | O60674 | 1/20 | 0.35 |
| ▸ | JAK1 | P23458 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL14979177 | 0.84 | AKT1 (0.41) | METAP1ATRHTTNAMPTKDM4E | |
| SCHEMBL14979175 | 0.81 | METAP1 (0.44) | METAP1ATRHTTNAMPTKDM4E | |
| SCHEMBL31565018 | 0.79 | HPGD (0.44) | METAP1ATRNAMPTKDM4EALDH1A1 | |
| SCHEMBL5465531 | 0.79 | HPGD (0.44) | METAP1ATRNAMPTKDM4EALDH1A1 | |
| SCHEMBL8984337 | 0.79 | NAMPT (0.46) | METAP1ATRHTTNAMPTKDM4E | |
| SCHEMBL30026311 | 0.79 | NAMPT (0.46) | METAP1ATRHTTNAMPTKDM4E | |
| SCHEMBL4669212 | 0.79 | DHODH (0.51) | METAP1ATRHTTKDM4EALDH1A1 | |
| SCHEMBL4351188 | 0.77 | ATR (0.56) | METAP1ATRHTTNAMPTKDM4E | |
| SCHEMBL22601389 | 0.77 | AAK1 (0.36) | AURKARPS6KB1 | |
| SCHEMBL29857768 | 0.75 | METAP1 (0.46) | METAP1ATRHTTNAMPTKDM4E |
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-2013071880-A1 | NITROGEN-CONTAINING FUSED RING COMPOUNDS FOR USE AS CRTH2 ANTAGONISTS | 山东亨利医药科技有限责任公司 (CN) | 2013-05-23 | — | — | WO | disclosed |