Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RARB | P10826 | 3/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.48 |
| ▸ | NR5A1 | Q13285 | 1/20 | 0.47 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | LTA4H | P09960 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | PLA2G4B | P0C869 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL11016069 | 0.99 | CYP2D6 (0.49) | RARBCYP2D6CYP1A2CYP3A4NR5A1 | |
| SCHEMBL11017102 | 0.99 | CYP2D6 (0.49) | RARBCYP2D6CYP1A2CYP3A4NR5A1 | |
| SCHEMBL11015875 | 0.99 | CYP2D6 (0.49) | RARBCYP2D6CYP1A2CYP3A4NR5A1 | |
| SCHEMBL11018428 | 0.99 | CYP2D6 (0.49) | RARBCYP2D6CYP1A2CYP3A4NR5A1 | |
| SCHEMBL11014654 | 0.99 | CYP2D6 (0.49) | RARBCYP2D6CYP1A2CYP3A4NR5A1 | |
| SCHEMBL11015728 | 0.99 | CYP2D6 (0.49) | RARBCYP2D6CYP1A2CYP3A4NR5A1 | |
| SCHEMBL11015078 | 0.99 | CYP2D6 (0.49) | RARBCYP2D6CYP1A2CYP3A4NR5A1 | |
| SCHEMBL11016044 | 0.94 | RARB (0.50) | RARBCYP2D6CYP1A2CYP3A4NR5A1 | |
| SCHEMBL11016691 | 0.94 | RARB (0.50) | RARBCYP2D6CYP1A2CYP3A4NR5A1 | |
| SCHEMBL11016535 | 0.91 | CYP2D6 (0.50) | RARBCYP2D6CYP1A2CYP3A4NR5A1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0144013-A2 | Thienothiophene derivatives | MERCK PATENT GmbH (DE) | 1985-06-12 | — | — | EP | disclosed |