Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK1 | Q13464 | 3/20 | 0.40 |
| ▸ | MAPK7 | Q13164 | 1/20 | 0.37 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.37 |
| ▸ | JAK2 | O60674 | 1/20 | 0.36 |
| ▸ | JAK1 | P23458 | 1/20 | 0.36 |
| ▸ | TYK2 | P29597 | 1/20 | 0.36 |
| ▸ | JAK3 | P52333 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | ZAP70 | P43403 | 1/20 | 0.35 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.35 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.35 |
| ▸ | CDK2 | P24941 | 1/20 | 0.35 |
| ▸ | CDK9 | P50750 | 1/20 | 0.35 |
| ▸ | TNK2 | Q07912 | 1/20 | 0.34 |
| ▸ | RAF1 | P04049 | 1/20 | 0.34 |
| ▸ | BRAF | P15056 | 1/20 | 0.34 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 4/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL16623587 | 0.97 | ROCK1 (0.39) | ROCK1MAPK7NTRK1JAK2JAK1 | |
| SCHEMBL17849217 | 0.88 | DGAT1 (0.33) | ROCK1MAPK7NTRK1JAK2JAK1 | |
| SCHEMBL17849207 | 0.87 | ROCK1 (0.39) | ROCK1MAPK7NTRK1ALDH1A1KDM4E | |
| SCHEMBL17849219 | 0.87 | RAF1 (0.42) | ROCK1NTRK1ALDH1A1KDM4EHPGD | |
| SCHEMBL17849202 | 0.86 | SMN1; SMN2 (0.44) | MAPK7ALDH1A1KDM4EHPGDMAPT | |
| SCHEMBL17849189 | 0.85 | RAB9A (0.45) | NTRK1ALDH1A1KDM4EHPGDNPC1 | |
| SCHEMBL17849214 | 0.84 | TYK2 (0.38) | ROCK1JAK2TYK2ALDH1A1KDM4E | |
| SCHEMBL17849197 | 0.84 | ALDH1A1 (0.38) | MAPK7JAK2TYK2ALDH1A1KDM4E | |
| SCHEMBL17849193 | 0.83 | F10 (0.43) | ALDH1A1HPGDMAPTNPC1RAB9A | |
| SCHEMBL17849212 | 0.82 | ITGB3 (0.37) | MEN1KMT2ANPC1RAB9A |
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 |