Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 3/20 | 0.38 |
| ▸ | GHSR | Q92847 | 9/20 | 0.35 |
| ▸ | F10 | P00742 | 2/20 | 0.35 |
| ▸ | PYGL | P06737 | 1/20 | 0.35 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.34 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.34 |
| ▸ | DRD4 | P21917 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL6838954 | 0.88 | F10 (0.37) | GHSRF10PYGLKCNH2OPRM1 | |
| SCHEMBL5260638 | 0.88 | CTSK (0.50) | CTSK | |
| SCHEMBL6829592 | 0.87 | NPC1 (0.48) | KCNH2NPC1RAB9AKMT2A | |
| SCHEMBL5255587 | 0.85 | F10 (0.35) | CTSKGHSRF10PYGLKCNH2 | |
| SCHEMBL6832876 | 0.85 | GHSR (0.37) | GHSRPYGL | |
| SCHEMBL6833095 | 0.83 | PYGL (0.42) | GHSRPYGLOPRM1 | |
| SCHEMBL7070887 | 0.82 | PYGL (0.42) | GHSRPYGL | |
| SCHEMBL5256902 | 0.81 | F10 (0.43) | F10DRD4NPC1RAB9AKMT2A | |
| SCHEMBL5255596 | 0.80 | DRD4 (0.36) | CTSKF10DRD4 | |
| SCHEMBL6838957 | 0.80 | DRD4 (0.36) | CTSKF10DRD4 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6747053-B2 | Heteroaryl nitriles | ROCHE PALO ALTO LLC | 2004-06-08 | — | — | US | disclosed |