Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | TP53 | P04637 | 2/20 | 0.41 |
| ▸ | USP2 | O75604 | 6/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.37 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.36 |
| ▸ | TACR1 | P25103 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL4638925 | 0.88 | AKR1C3 (0.40) | AKR1C3MAPTTP53USP2CYP1A2 | |
| SCHEMBL4637762 | 0.83 | AKR1C3 (0.41) | AKR1C3MAPTTP53USP2CYP1A2 | |
| SCHEMBL4638842 | 0.82 | CYP19A1 (0.48) | TSHRALDH1A1HSP90AA1HSP90AB1TACR1 | |
| SCHEMBL4637737 | 0.81 | HSP90AA1 (0.38) | AKR1C3MAPTTP53USP2CYP1A2 | |
| SCHEMBL4638527 | 0.81 | USP2 (0.41) | AKR1C3MAPTTP53USP2CYP1A2 | |
| SCHEMBL4637929 | 0.81 | HPGD (0.45) | AKR1C3MAPTTP53USP2CYP1A2 | |
| SCHEMBL4638906 | 0.80 | CYP19A1 (0.49) | AKR1C3MAPTTP53ALDH1A1MEN1 | |
| SCHEMBL4637960 | 0.79 | USP2 (0.41) | AKR1C3MAPTUSP2CYP1A2CYP2C19 | |
| SCHEMBL5796966 | 0.79 | TACR1 (0.49) | MEN1KMT2ATACR1 | |
| SCHEMBL4637771 | 0.78 | IDH1 (0.42) | MAPTALDH1A1HSP90AA1HSP90AB1TACR1 |
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 |