Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 1/20 | 0.47 |
| ▸ | MAOB | P27338 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 3/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | ESR1 | P03372 | 9/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 6/20 | 0.38 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | APP | P05067 | 1/20 | 0.35 |
| ▸ | DRD2 | P14416 | 1/20 | 0.35 |
| ▸ | DRD1 | P21728 | 1/20 | 0.35 |
| ▸ | DRD4 | P21917 | 1/20 | 0.35 |
| ▸ | DRD5 | P21918 | 1/20 | 0.35 |
| ▸ | DRD3 | P35462 | 1/20 | 0.35 |
| ▸ | MIF | P14174 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL21780749 | 0.94 | MAOA (0.54) | MAOAMAOBMAPTRAB9AALDH1A1 | |
| SCHEMBL21780835 | 0.86 | MAOA (0.60) | MAOAMAOBESR1ESR2MIF | |
| SCHEMBL21780918 | 0.82 | MAOA (0.46) | MAOAMAOBESR1ESR2 | |
| SCHEMBL12443521 | 0.75 | MAOA (0.50) | MAOAMAOBMAPTRAB9AALDH1A1 | |
| SCHEMBL2981516 | 0.75 | MAOB (0.74) | MAOAMAOBMAPTRAB9AALDH1A1 | |
| SCHEMBL6208215 | 0.74 | ESR2 (0.58) | MAOAMAOBMAPTRAB9AALDH1A1 | |
| SCHEMBL3223921 | 0.71 | MAPT (0.60) | MAOAMAOBMAPTRAB9AALDH1A1 | |
| SCHEMBL30337075 | 0.71 | MAPT (0.60) | MAOAMAOBMAPTRAB9AALDH1A1 | |
| SCHEMBL17085460 | 0.70 | MAPT (0.44) | MAPTRAB9AALDH1A1CYP3A4ESR1 | |
| SCHEMBL281830 | 0.70 | PRKCI (0.56) | MAOAMAOBMAPTRAB9ACYP3A4 |
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-3233828-B1 | ESTROGEN RECEPTOR MODULATORS AND USES THEREOF | HOFFMANN LA ROCHE (CH) | 2020-03-04 | — | — | EP | disclosed |