Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A13 | Q16696 | 2/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.36 |
| ▸ | FTO | Q9C0B1 | 1/20 | 0.36 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 3/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | MAPK7 | Q13164 | 1/20 | 0.35 |
| ▸ | SCN1A | P35498 | 1/20 | 0.35 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.35 |
| ▸ | SCN8A | Q9UQD0 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.34 |
| ▸ | NPC1 | O15118 | 2/20 | 0.34 |
| ▸ | TP53 | P04637 | 2/20 | 0.34 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL17849189 | 0.87 | RAB9A (0.45) | CYP2A13HRH3NTRK1RAB9ALMNA | |
| SCHEMBL17849209 | 0.86 | BDKRB1 (0.35) | SMN1; SMN2ALDH1A1 | |
| SCHEMBL17849192 | 0.84 | RIPK1 (0.37) | RAB9AMAPK7SMN1; SMN2 | |
| SCHEMBL16623468 | 0.83 | MPO (0.31) | RAB9ANPC1 | |
| SCHEMBL18052608 | 0.82 | MEN1 (0.31) | — | |
| SCHEMBL16623587 | 0.80 | ROCK1 (0.39) | NTRK1RAB9AMAPK7SMN1; SMN2ALDH1A1 | |
| SCHEMBL17849202 | 0.79 | SMN1; SMN2 (0.44) | RAB9ALMNAMAPK7SMN1; SMN2ALDH1A1 | |
| SCHEMBL17849203 | 0.78 | ROCK1 (0.40) | NTRK1RAB9AMAPK7ALDH1A1NPC1 | |
| SCHEMBL16623544 | 0.78 | MEN1 (0.32) | — | |
| SCHEMBL18052610 | 0.76 | MAPK10 (0.41) | NTRK1MAPK7 |
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 |