Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.58 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.58 |
| ▸ | MAPT | P10636 | 1/20 | 0.56 |
| ▸ | RAB9A | P51151 | 1/20 | 0.56 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.56 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | NQO1 | P15559 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | USP2 | O75604 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | CASP1 | P29466 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | SLCO1B3 | Q9NPD5 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL9662959 | 0.91 | MAPT (0.68) | CYP3A4CYP2D6MAPTRAB9AL3MBTL1 | |
| SCHEMBL14548630 | 0.91 | MAPT (0.62) | CYP3A4CYP2D6MAPTRAB9AL3MBTL1 | |
| SCHEMBL9664787 | 0.89 | CYP3A4 (0.62) | CYP3A4CYP2D6MAPTRAB9AL3MBTL1 | |
| SCHEMBL4605013 | 0.89 | MAPT (0.69) | CYP3A4CYP2D6MAPTRAB9AL3MBTL1 | |
| SCHEMBL17897414 | 0.89 | CYP3A4 (0.61) | CYP3A4CYP2D6RAB9ACYP19A1CYP2C9 | |
| SCHEMBL11384850 | 0.89 | CYP3A4 (0.61) | CYP3A4CYP2D6MAPTRAB9AL3MBTL1 | |
| SCHEMBL9664462 | 0.89 | NQO1 (0.56) | MAPTRAB9AL3MBTL1NQO1ALDH1A1 | |
| SCHEMBL15581290 | 0.87 | CYP3A4 (0.56) | CYP3A4CYP2D6CYP19A1CYP2C9CYP2C19 | |
| SCHEMBL12285602 | 0.87 | MAPT (0.68) | CYP3A4MAPTRAB9AL3MBTL1NQO1 | |
| SCHEMBL7584187 | 0.87 | CYP3A4 (0.64) | CYP3A4CYP2D6MAPTRAB9AL3MBTL1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5093026-A | Liquid crystals | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1992-03-03 | — | — | US | disclosed |
| WO-1990008756-A1 | DIPHENYLETHANES | MERCK Patent Gesellschaft mit beschränkter Haftung (DE) | 1990-08-09 | — | — | WO | disclosed |