Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 7/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.46 |
| ▸ | RARA | P10276 | 1/20 | 0.44 |
| ▸ | RARB | P10826 | 1/20 | 0.44 |
| ▸ | CYP19A1 | P11511 | 7/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 7/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 7/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 6/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 5/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.39 |
| ▸ | LMNA | P02545 | 3/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 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 | |
|---|---|---|---|---|
| SCHEMBL8774330 | 0.97 | CYP3A4 (0.43) | CYP2D6CYP3A4RARARARBCYP19A1 | |
| SCHEMBL8775001 | 0.96 | PKM (0.42) | CYP2D6CYP3A4RARARARBPKM | |
| SCHEMBL8774847 | 0.95 | ACACB (0.43) | CYP2D6CYP3A4RARARARBCYP1A2 | |
| SCHEMBL8774813 | 0.94 | MEN1 (0.42) | CYP3A4PKMSMN1; SMN2LMNAALDH1A1 | |
| SCHEMBL8774833 | 0.91 | LMNA (0.44) | RAB9ASMN1; SMN2LMNAMAPTHPGD | |
| SCHEMBL8774157 | 0.90 | RAB9A (0.39) | RAB9ASMN1; SMN2LMNAMAPTHPGD | |
| SCHEMBL8774250 | 0.88 | RARB (0.44) | RARARARBRAB9ASMN1; SMN2MAPT | |
| SCHEMBL8774036 | 0.87 | RARB (0.49) | CYP3A4RARARARBRAB9ASMN1; SMN2 | |
| SCHEMBL8774796 | 0.85 | NQO1 (0.41) | SMN1; SMN2LMNAHPGDPOLBKDM4E | |
| SCHEMBL8774334 | 0.85 | NPC1 (0.40) | RARARARBPKMRAB9ASMN1; 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 |