Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK14 | Q16539 | 5/20 | 0.33 |
| ▸ | P2RY2 | P41231 | 2/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL7508055 | 0.77 | P2RY2 (0.37) | P2RY2NPC1GAARAB9A | |
| SCHEMBL7505694 | 0.72 | P2RY2 (0.39) | P2RY2 | |
| SCHEMBL7515156 | 0.60 | ALDH1A1 (0.36) | NPC1GAAMAPK1RAB9A | |
| SCHEMBL10151628 | 0.59 | RAB9A (0.66) | MAPK14NPC1GAAMAPK1RAB9A | |
| SCHEMBL10271315 | 0.59 | RAB9A (0.66) | NPC1GAAMAPK1RAB9A | |
| SCHEMBL9146492 | 0.56 | HDAC3 (0.33) | MAPK1 | |
| SCHEMBL3731077 | 0.56 | MAPK14 (0.55) | MAPK14NPC1MAPK1RAB9A | |
| SCHEMBL22241991 | 0.56 | CHRNB2 (0.33) | — | |
| SCHEMBL10592420 | 0.56 | HDAC3 (0.35) | — | |
| SCHEMBL11825308 | 0.56 | HTR2A (0.37) | GAA |
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-1042320-B1 | NEW COMPOUNDS WHICH ARE P2-PURINOCEPTOR 7-TRANSMEMBRANE (TM) G-PROTEIN COUPLED RECEPTOR ANTAGONISTS | ASTRAZENECA UK LTD (GB) | 2002-02-13 | — | — | EP | disclosed |
| US-6218376-B1 | FOR TREATING INFLAMMATORY DISEASES | ASTRAZENECA UK LIMITED (GB) | 2001-04-17 | — | — | US | disclosed |