Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 6/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.49 |
| ▸ | RARB | P10826 | 4/20 | 0.46 |
| ▸ | RARA | P10276 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 3/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | CYP19A1 | P11511 | 6/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 6/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 6/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.43 |
| ▸ | NR5A1 | Q13285 | 1/20 | 0.43 |
| ▸ | LTA4H | P09960 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL8774862 | 0.99 | RARB (0.48) | CYP2D6CYP3A4RARBRARAHPGD | |
| SCHEMBL8774173 | 0.99 | RARB (0.48) | CYP2D6CYP3A4RARBRARAHPGD | |
| SCHEMBL8774566 | 0.99 | RARB (0.48) | CYP2D6CYP3A4RARBRARAHPGD | |
| SCHEMBL8774877 | 0.99 | CYP2D6 (0.46) | CYP2D6CYP3A4RARBRARAHPGD | |
| SCHEMBL8774943 | 0.97 | HPGD (0.47) | CYP2D6CYP3A4RARBHPGDKDM4E | |
| SCHEMBL8774751 | 0.97 | CYP2D6 (0.51) | CYP2D6CYP3A4RARBRARAHPGD | |
| SCHEMBL8774529 | 0.96 | CYP2D6 (0.49) | CYP2D6CYP3A4RARBRARAHPGD | |
| SCHEMBL8774590 | 0.92 | ACACB (0.45) | CYP2D6CYP3A4RARBRARAHPGD | |
| SCHEMBL8775192 | 0.90 | RAB9A (0.44) | CYP2D6CYP3A4HPGDKDM4EALDH1A1 | |
| SCHEMBL8774097 | 0.85 | FFAR4 (0.45) | HPGDKDM4EALDH1A1RAB9ASMN1; 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 |