Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAF1 | P04049 | 3/20 | 0.42 |
| ▸ | BRAF | P15056 | 3/20 | 0.42 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.38 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.38 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.38 |
| ▸ | CDK2 | P24941 | 1/20 | 0.38 |
| ▸ | CDK9 | P50750 | 1/20 | 0.38 |
| ▸ | SETD2 | Q9BYW2 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 7/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | NPC1 | O15118 | 3/20 | 0.37 |
| ▸ | RAB9A | P51151 | 3/20 | 0.37 |
| ▸ | MAOA | P21397 | 1/20 | 0.37 |
| ▸ | MAOB | P27338 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL16623587 | 0.89 | ROCK1 (0.39) | RAF1BRAFROCK1HPGDCCNT1 | |
| SCHEMBL17849207 | 0.89 | ROCK1 (0.39) | RAF1BRAFROCK1HPGDCCNT1 | |
| SCHEMBL17849203 | 0.87 | ROCK1 (0.40) | RAF1BRAFROCK1HPGDCCNT1 | |
| SCHEMBL17849214 | 0.86 | TYK2 (0.38) | RAF1BRAFROCK1HPGDCCNT1 | |
| SCHEMBL17849188 | 0.82 | EGFR (0.40) | ROCK1MAPK14CCNT1CCNE1CDK2 | |
| SCHEMBL16623594 | 0.80 | CMA1 (0.35) | NPC1RAB9AMEN1KMT2A | |
| SCHEMBL17849202 | 0.80 | SMN1; SMN2 (0.44) | HPGDMAPTALDH1A1NPC1RAB9A | |
| SCHEMBL17849217 | 0.80 | DGAT1 (0.33) | ROCK1MAPTALDH1A1L3MBTL1KDM4E | |
| SCHEMBL17849197 | 0.77 | ALDH1A1 (0.38) | HPGDMAPTALDH1A1NPC1RAB9A | |
| SCHEMBL17849247 | 0.76 | MAPT (0.41) | MAPTALDH1A1NPC1RAB9AMAOA |
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 |
|---|---|---|---|---|---|---|---|
| US-9371320-B2 | Heterocyclic compound | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2016-06-21 | — | — | US | disclosed |
| US-9371320-B2 | Heterocyclic compound | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2016-06-21 | — | — | US | disclosed |