Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 8/20 | 0.49 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | ATM | Q13315 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.31 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.31 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | NISCH | Q9Y2I1 | 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 | |
|---|---|---|---|---|
| SCHEMBL20225690 | 0.78 | CYP2A6 (0.30) | CYP2A6 | |
| SCHEMBL5578212 | 0.72 | MEN1 (0.36) | FFAR1NPC1PKMRAB9AATM | |
| SCHEMBL3083950 | 0.70 | — | — | |
| SCHEMBL10514271 | 0.70 | — | — | |
| SCHEMBL3853535 | 0.70 | — | — | |
| SCHEMBL3346978 | 0.69 | FFAR1 (0.45) | CYP2A6FFAR1NPC1PKMRAB9A | |
| SCHEMBL8302182 | 0.69 | CYP2A6 (0.44) | CYP2A6FFAR1NPC1PKMRAB9A | |
| SCHEMBL2523451 | 0.69 | — | — | |
| SCHEMBL3346930 | 0.69 | — | — | |
| SCHEMBL13301090 | 0.68 | KDM4E (0.36) | PKMCYP2C19CYP2D6CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010063487-A1 | PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICINE | MERZ PHARMA GMBH & CO. KGAA (DE) | 2010-06-10 | — | — | WO | disclosed |