Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.43 |
| ▸ | RARB | P10826 | 5/20 | 0.43 |
| ▸ | RARA | P10276 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | CASP1 | P29466 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | SLCO1B3 | Q9NPD5 | 1/20 | 0.40 |
| ▸ | SLCO1B1 | Q9Y6L6 | 1/20 | 0.40 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8774925 | 0.97 | CYP2D6 (0.46) | CYP3A4CYP2D6RARBRARAMEN1 | |
| SCHEMBL8774813 | 0.96 | MEN1 (0.42) | CYP3A4MEN1USP2ALDH1A1LMNA | |
| SCHEMBL8775001 | 0.94 | PKM (0.42) | CYP3A4CYP2D6RARBRARAMEN1 | |
| SCHEMBL8774847 | 0.93 | ACACB (0.43) | CYP3A4CYP2D6RARBRARAMEN1 | |
| SCHEMBL8774833 | 0.89 | LMNA (0.44) | ALDH1A1LMNASMN1; SMN2MAPTRAB9A | |
| SCHEMBL8774157 | 0.87 | RAB9A (0.39) | ALDH1A1LMNASMN1; SMN2MAPTRAB9A | |
| SCHEMBL8774036 | 0.87 | RARB (0.49) | CYP3A4RARBRARAMEN1USP2 | |
| SCHEMBL8774250 | 0.86 | RARB (0.44) | RARBRARAALDH1A1SMN1; SMN2MAPT | |
| SCHEMBL9152820 | 0.84 | CYP3A4 (0.44) | CYP3A4CYP2D6RARBMEN1USP2 | |
| SCHEMBL8774796 | 0.83 | NQO1 (0.41) | ALDH1A1LMNASMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0519370-B1 | Heterocyclic derivatives | MERCK PATENT GMBH (DE) | 1997-11-05 | — | — | EP | disclosed |
| EP-0519370-A2 | Heterocyclic derivatives | MERCK PATENT GmbH (DE) | 1992-12-23 | — | — | EP | disclosed |