Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.38 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.38 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | USP2 | O75604 | 5/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | TACR1 | P25103 | 5/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL4637771 | 0.89 | IDH1 (0.42) | HSP90AA1HSP90AB1MAPTTACR1ALDH1A1 | |
| SCHEMBL4638527 | 0.88 | USP2 (0.41) | HSP90AA1HSP90AB1AKR1C3MAPTUSP2 | |
| SCHEMBL4638842 | 0.87 | CYP19A1 (0.48) | HSP90AA1HSP90AB1TSHRTACR1ALDH1A1 | |
| SCHEMBL4639419 | 0.86 | CYP19A1 (0.41) | HSP90AA1HSP90AB1AKR1C3MAPTUSP2 | |
| SCHEMBL4637960 | 0.84 | USP2 (0.41) | HSP90AA1HSP90AB1AKR1C3MAPTUSP2 | |
| SCHEMBL4638506 | 0.83 | ALDH1A1 (0.47) | AKR1C3USP2CYP1A2CYP2C19CYP2D6 | |
| SCHEMBL4638925 | 0.82 | AKR1C3 (0.40) | HSP90AA1HSP90AB1AKR1C3MAPTUSP2 | |
| SCHEMBL4639523 | 0.82 | MAPT (0.46) | MAPTALDH1A1KDM4EMEN1LMNA | |
| SCHEMBL4638847 | 0.81 | AKR1C3 (0.42) | HSP90AA1HSP90AB1AKR1C3MAPTUSP2 | |
| SCHEMBL4638983 | 0.81 | IDH1 (0.49) | TSHRALDH1A1CYP19A1CYP3A4 |
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-1501808-B1 | TACHYKININ RECEPTOR ANTAGONISTS | LILLY CO ELI (US) | 2008-07-02 | — | — | EP | disclosed |
| EP-1501809-B1 | TRIAZOLE DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONISTS | LILLY CO ELI (US) | 2008-01-16 | — | — | EP | disclosed |