Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 8/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.46 |
| ▸ | RARA | P10276 | 1/20 | 0.42 |
| ▸ | RARB | P10826 | 1/20 | 0.42 |
| ▸ | MCHR1 | Q99705 | 2/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 8/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 8/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 8/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 6/20 | 0.41 |
| ▸ | HPGD | P15428 | 4/20 | 0.39 |
| ▸ | RAB9A | P51151 | 4/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 3/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL8774602 | 0.96 | ACACB (0.39) | CYP2D6CYP3A4RARARARBCYP19A1 | |
| SCHEMBL8774463 | 0.95 | MCHR1 (0.41) | CYP2D6CYP3A4MCHR1CYP1A2HPGD | |
| SCHEMBL8774095 | 0.94 | NR5A1 (0.41) | CYP2D6CYP3A4CYP19A1CYP2C9CYP2C19 | |
| SCHEMBL8774435 | 0.91 | ACACB (0.40) | LMNAHTTHSD17B10 | |
| SCHEMBL8775031 | 0.90 | CYP11B1 (0.39) | MCHR1HPGDRAB9ASMN1; SMN2LMNA | |
| SCHEMBL8774805 | 0.85 | NQO1 (0.41) | — | |
| SCHEMBL8774912 | 0.85 | TSHR (0.43) | RARARARBRAB9ASMN1; SMN2ALDH1A1 | |
| SCHEMBL8774909 | 0.84 | HSD17B10 (0.48) | RARARARBHPGDRAB9ASMN1; SMN2 | |
| SCHEMBL9157311 | 0.83 | CYP2D6 (0.47) | CYP2D6CYP3A4MCHR1CYP19A1CYP2C9 | |
| SCHEMBL8774994 | 0.82 | FFAR1 (0.42) | RARARARBRAB9ASMN1; SMN2NPC1 |
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 |