Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.41 |
| ▸ | CYP2A13 | Q16696 | 2/20 | 0.39 |
| ▸ | AVPR1B | P47901 | 5/20 | 0.37 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.36 |
| ▸ | CNR1 | P21554 | 1/20 | 0.36 |
| ▸ | LCK | P06239 | 1/20 | 0.36 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.36 |
| ▸ | PIK3R2 | O00459 | 1/20 | 0.36 |
| ▸ | PIK3CG | P48736 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL3695237 | 1.00 | SIGMAR1 (0.41) | SIGMAR1CYP2A13AVPR1BCXCR4CNR1 | |
| SCHEMBL4542426 | 0.80 | SIGMAR1 (0.43) | SIGMAR1CYP2A13CXCR4CNR1LCK | |
| SCHEMBL4569391 | 0.79 | PIK3CD (0.42) | AVPR1BLCKPIK3CDPIK3R2PIK3CG | |
| SCHEMBL16269981 | 0.79 | PIK3CD (0.38) | AVPR1BLCKPIK3CDPIK3R2PIK3CG | |
| SCHEMBL16412325 | 0.78 | AVPR1B (0.39) | AVPR1BCNR1PIK3CDPIK3R2PIK3CG | |
| SCHEMBL3696680 | 0.78 | PIK3CD (0.48) | PIK3CDPIK3R2PIK3CG | |
| SCHEMBL14329176 | 0.78 | PIK3CD (0.47) | PIK3CDPIK3R2PIK3CG | |
| SCHEMBL4569302 | 0.78 | PIK3CD (0.47) | PIK3CDPIK3R2PIK3CG | |
| SCHEMBL3696676 | 0.78 | PIK3CD (0.48) | PIK3CDPIK3R2PIK3CG | |
| SCHEMBL4569351 | 0.78 | CYP2A13 (0.38) | SIGMAR1CYP2A13AVPR1BCXCR4CNR1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2637669-A2 | HETEROCYCLIC COMPOUNDS AND USES THEREOF | Infinity Pharmaceuticals, Inc. (US) | 2013-09-18 | — | — | EP | disclosed |
| WO-2012064973-A2 | HETEROCYCLIC COMPOUNDS AND USES THEREOF | INFINITY PHARMACEUTICALS, INC. (US) | 2012-05-18 | — | — | WO | disclosed |