Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 3/20 | 0.46 |
| ▸ | HPGD | P15428 | 3/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | PDE4A | P27815 | 1/20 | 0.43 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.43 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.43 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL569209 | 0.83 | NPSR1 (0.50) | CYP1A2CYP2C19POLBHPGDMAPT | |
| SCHEMBL569436 | 0.83 | CYP1A2 (0.43) | S1PR1CYP1A2CYP2C19POLBMAPT | |
| SCHEMBL19771403 | 0.81 | POLB (0.53) | CYP1A2CYP2C19POLBMAPTLMNA | |
| SCHEMBL569392 | 0.80 | MAPT (0.43) | CYP1A2CYP2C19POLBMAPTKDM4E | |
| SCHEMBL31163679 | 0.78 | S1PR1 (0.48) | S1PR1 | |
| SCHEMBL17966923 | 0.76 | ENPP2 (0.61) | CYP1A2CYP2C19POLBMAPTLMNA | |
| SCHEMBL12593484 | 0.74 | MEN1 (0.51) | S1PR1POLBMAPTKDM4ELMNA | |
| SCHEMBL2247954 | 0.74 | S1PR1 (0.49) | S1PR1CYP1A2CYP2C19KDM4ELMNA | |
| SCHEMBL1979492 | 0.74 | CYP1A2 (0.57) | S1PR1CYP1A2CYP2C19POLBMAPT | |
| SCHEMBL18885590 | 0.74 | KDM4E (0.44) | S1PR1POLBHPGDMAPTKDM4E |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012176934-A1 | CRYSTAL OF FUSED HETEROCYCLIC COMPOUND | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2012-12-27 | — | — | WO | disclosed |
| WO-2011163355-A1 | FUSED HETEROCYCLIC COMPOUNDS AS PHOSPHODIESTERASES (PDES) INHIBITORS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2011-12-29 | — | — | WO | disclosed |