Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RY12 | Q9H244 | 1/20 | 0.33 |
| ▸ | BCHE | P06276 | 1/20 | 0.30 |
| ▸ | ACHE | P22303 | 1/20 | 0.30 |
| ▸ | BACE1 | P56817 | 1/20 | 0.30 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.30 |
| ▸ | AKT1 | P31749 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL2468758 | 0.83 | P2RY12 (0.31) | P2RY12 | |
| SCHEMBL2403733 | 0.78 | HDAC3 (0.35) | P2RY12ACHEBACE1OPRK1AKT1 | |
| SCHEMBL2403729 | 0.78 | HDAC3 (0.35) | P2RY12ACHEBACE1OPRK1AKT1 | |
| SCHEMBL2403738 | 0.73 | KDM4E (0.31) | P2RY12AKT1 | |
| SCHEMBL2403740 | 0.73 | KDM4E (0.31) | P2RY12AKT1 | |
| SCHEMBL2403979 | 0.73 | ABL1 (0.43) | P2RY12AKT1 | |
| SCHEMBL2405509 | 0.73 | NEK2 (0.39) | AKT1 | |
| SCHEMBL2404206 | 0.71 | ABL1 (0.35) | P2RY12OPRK1AKT1 | |
| SCHEMBL2470530 | 0.70 | MAP4K4 (0.41) | ACHE | |
| SCHEMBL12269550 | 0.70 | CKS1B (0.41) | ACHEBACE1 |
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-2545058-A2 | HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE | Kalypsys, Inc. (US) | 2013-01-16 | — | — | EP | disclosed |
| WO-2011112766-A2 | HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE | KALYPSYS, INC. (US) | 2011-09-15 | — | — | WO | disclosed |