Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IGFBP3 | P17936 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.39 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.35 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.35 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.35 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.34 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.34 |
| ▸ | BLM | P54132 | 1/20 | 0.33 |
| ▸ | F2RL1 | P55085 | 2/20 | 0.33 |
| ▸ | IDO1 | P14902 | 1/20 | 0.33 |
| ▸ | TDO2 | P48775 | 1/20 | 0.33 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.33 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.33 |
| ▸ | OPRL1 | P41146 | 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 | |
|---|---|---|---|---|
| SCHEMBL29976363 | 0.73 | ADRB2 (0.48) | IGFBP3CYP2C19ADRB2ADRB1AOC3 | |
| SCHEMBL230382 | 0.73 | ADRB2 (0.48) | IGFBP3CYP2C19ADRB2ADRB1AOC3 | |
| SCHEMBL8745972 | 0.70 | HPGD (0.53) | IGFBP3CYP2C19HPGDHSD17B10KDM4C | |
| SCHEMBL4015279 | 0.69 | IGFBP3 (0.43) | IGFBP3CYP2C19HPGDHSD17B10KDM4C | |
| SCHEMBL4707217 | 0.68 | CYP2C19 (0.45) | IGFBP3CYP2C19HPGDHSD17B10KDM4C | |
| SCHEMBL2901635 | 0.68 | CYP2C19 (0.45) | IGFBP3CYP2C19HPGDHSD17B10KDM4C | |
| SCHEMBL4707443 | 0.67 | IGFBP3 (0.39) | IGFBP3CYP2C19HPGDHSD17B10KDM4C | |
| SCHEMBL21885163 | 0.67 | KMT2A (0.47) | IGFBP3CYP2C19HSD17B10ACHECYP1A2 | |
| SCHEMBL11606505 | 0.66 | TSHR (0.50) | CYP2C19ADRB2ADRB1AOC3CYP2D6 | |
| SCHEMBL477602 | 0.66 | ACP3 (0.53) | IGFBP3CYP2C19ADRB2ADRB1AOC3 |
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 3 patents. 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 |
| CN-1312136-C | Triazole derivatives as tachykinin receptor antagonists | LILLY CO ELI (US) | 2007-04-25 | — | — | CN | disclosed |
| CN-1646502-A | Triazole derivatives as tachykinin receptor antagonists | LILLY CO ELI (US) | 2005-07-27 | — | — | CN | disclosed |