Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKT1 | P31749 | 1/20 | 0.39 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.39 |
| ▸ | MTOR | P42345 | 1/20 | 0.39 |
| ▸ | RORB | Q92753 | 6/20 | 0.38 |
| ▸ | RORC | P51449 | 4/20 | 0.38 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.37 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.34 |
| ▸ | STAT6 | P42226 | 1/20 | 0.33 |
| ▸ | ABL1 | P00519 | 1/20 | 0.33 |
| ▸ | BCR | P11274 | 1/20 | 0.33 |
| ▸ | GALR3 | O60755 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | NR2F2 | P24468 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 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 | |
|---|---|---|---|---|
| SCHEMBL4705422 | 0.91 | AKT1 (0.38) | AKT1PIK3CAMTORRORBRORC | |
| SCHEMBL4707556 | 0.85 | RORB (0.39) | AKT1PIK3CAMTORRORBRORC | |
| SCHEMBL4708522 | 0.84 | RORB (0.42) | RORBRORCSMN1; SMN2 | |
| SCHEMBL4708724 | 0.83 | MEN1 (0.34) | AKT1PIK3CAMTORRORBRORC | |
| SCHEMBL4705450 | 0.83 | RORB (0.42) | AKT1RORBRORC | |
| SCHEMBL4707869 | 0.82 | NTRK1 (0.39) | AKT1PIK3CAMTORRORBRORC | |
| SCHEMBL4705167 | 0.82 | NTRK1 (0.34) | AKT1PIK3CAMTORRORBRORC | |
| SCHEMBL4705884 | 0.82 | RORB (0.40) | RORBRORCSMN1; SMN2 | |
| SCHEMBL4708031 | 0.81 | NTRK1 (0.34) | AKT1PIK3CAMTORRORBRORC | |
| SCHEMBL4705910 | 0.81 | RORB (0.39) | RORBRORCGALR3CYP3A4CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1501809-B1 | TRIAZOLE DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONISTS | LILLY CO ELI (US) | 2008-01-16 | — | — | EP | disclosed |