Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 7/20 | 0.60 |
| ▸ | ESR2 | Q92731 | 7/20 | 0.60 |
| ▸ | AKR1C3 | P42330 | 3/20 | 0.57 |
| ▸ | AKR1C2 | P52895 | 3/20 | 0.57 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.49 |
| ▸ | MAOA | P21397 | 1/20 | 0.48 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 6/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | HPGD | P15428 | 4/20 | 0.48 |
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.48 |
| ▸ | TP53 | P04637 | 2/20 | 0.43 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL11178446 | 0.85 | MAOA (0.55) | AKR1C3AKR1C2MAOAADRA1AMAPT | |
| SCHEMBL2432940 | 0.83 | AKR1B1 (0.46) | ESR1ESR2AKR1C3AKR1C2AKR1B1 | |
| SCHEMBL2433361 | 0.78 | ITGB1 (0.47) | ESR1ESR2AKR1C3AKR1C2AKR1B1 | |
| SCHEMBL2434406 | 0.76 | ESR1 (0.63) | ESR1ESR2AKR1B1MAPTALDH1A1 | |
| SCHEMBL6311736 | 0.76 | ESR1 (1.00) | ESR1ESR2MAPTALDH1A1HPGD | |
| SCHEMBL11695908 | 0.75 | AKR1C3 (0.59) | AKR1C3AKR1C2MAOAADRA1AMAPT | |
| SCHEMBL11697899 | 0.75 | MAOA (0.58) | ESR1ESR2AKR1C3AKR1C2MAOA | |
| SCHEMBL27578687 | 0.75 | ESR1 (0.62) | ESR1ESR2MAPTALDH1A1HPGD | |
| SCHEMBL25028054 | 0.75 | ESR1 (0.72) | ESR1ESR2MAPTALDH1A1HPGD | |
| SCHEMBL11176670 | 0.75 | MAOA (0.82) | ESR1ESR2MAOAADRA1AMAPT |
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-1346982-B1 | VLA-4 INHIBITORS | DAIICHI SEIYAKU CO (JP) | 2011-09-14 | — | — | EP | disclosed |