Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | ERN1 | O75460 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | GLA | P06280 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | APLNR | P35414 | 1/20 | 0.33 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.33 |
| ▸ | NQO2 | P16083 | 1/20 | 0.33 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.33 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL4617166 | 0.79 | CYP2D6 (0.37) | HTTALDH1A1CYP2D6CYP1A2CYP3A4 | |
| SCHEMBL19122094 | 0.77 | POLB (0.43) | HTTALDH1A1CYP2D6CYP1A2CYP3A4 | |
| SCHEMBL27908788 | 0.74 | MTNR1A (0.43) | HTTERN1ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL28291585 | 0.74 | ALDH1A1 (0.37) | HTTERN1ALDH1A1CYP1A2KDM4E | |
| SCHEMBL28212652 | 0.72 | ALDH1A1 (0.44) | HTTERN1ALDH1A1CYP1A2MAPT | |
| SCHEMBL4711687 | 0.70 | CYP2D6 (0.37) | HTTALDH1A1CYP2D6CYP3A4MEN1 | |
| SCHEMBL862161 | 0.70 | ALDH1A1 (0.56) | ERN1ALDH1A1CYP1A2CYP3A4KDM4E | |
| SCHEMBL4945362 | 0.70 | ALDH1A1 (0.60) | ERN1ALDH1A1CYP1A2CYP3A4KDM4E | |
| SCHEMBL7369782 | 0.70 | — | — | |
| SCHEMBL2387510 | 0.67 | ALDH1A1 (0.42) | ERN1ALDH1A1CYP1A2CYP3A4KDM4E |
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-0707564-A1 | DIFLUORO STATONE ANALOGS | MERRELL PHARMACEUTICALS INC. (US) | 1996-04-24 | — | — | EP | disclosed |