Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 3/20 | 0.35 |
| ▸ | TP53 | P04637 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.33 |
| ▸ | TACR1 | P25103 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | USP2 | O75604 | 5/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.32 |
| ▸ | CCR1 | P32246 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | PPARG | P37231 | 1/20 | 0.32 |
| ▸ | PPARD | Q03181 | 1/20 | 0.32 |
| ▸ | PPARA | Q07869 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL4638484 | 0.91 | AKR1C3 (0.35) | AKR1C3MAPTTP53SMN1; SMN2CYP2D6 | |
| SCHEMBL4638806 | 0.87 | AKR1C3 (0.41) | AKR1C3MAPTTP53SMN1; SMN2CYP2D6 | |
| SCHEMBL4638914 | 0.86 | ALDH1A1 (0.43) | MAPTTP53SMN1; SMN2TACR1TSHR | |
| SCHEMBL4639457 | 0.85 | USP2 (0.35) | AKR1C3MAPTSMN1; SMN2CYP2D6TACR1 | |
| SCHEMBL4637872 | 0.83 | USP2 (0.36) | AKR1C3MAPTCYP2D6TACR1TSHR | |
| SCHEMBL4671709 | 0.81 | AKR1C3 (0.38) | AKR1C3MAPTTP53SMN1; SMN2CYP2D6 | |
| SCHEMBL4637942 | 0.80 | AKR1C3 (0.32) | AKR1C3HSP90AA1HSP90AB1 | |
| SCHEMBL4638933 | 0.78 | AKR1C3 (0.36) | AKR1C3MAPTTP53SMN1; SMN2CYP2D6 | |
| SCHEMBL4639425 | 0.76 | USP2 (0.35) | AKR1C3MAPTSMN1; SMN2CYP2D6TACR1 | |
| SCHEMBL4637929 | 0.75 | HPGD (0.45) | AKR1C3MAPTTP53SMN1; SMN2TSHR |
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 |