Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR5A1 | Q13285 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.51 |
| ▸ | RARB | P10826 | 3/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | LTA4H | P09960 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | PLA2G4B | P0C869 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | HPGD | P15428 | 2/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL16558130 | 1.00 | NR5A1 (0.51) | NR5A1CYP3A4CYP2D6CYP1A2RARB | |
| SCHEMBL16558134 | 0.98 | CYP3A4 (0.53) | NR5A1CYP3A4CYP2D6CYP1A2RARB | |
| SCHEMBL16552798 | 0.94 | NR5A1 (0.58) | NR5A1CYP3A4CYP2D6CYP1A2RARB | |
| SCHEMBL13309870 | 0.94 | NR5A1 (0.58) | NR5A1CYP3A4CYP2D6CYP1A2RARB | |
| SCHEMBL3791496 | 0.92 | NR5A1 (0.56) | NR5A1CYP3A4CYP2D6CYP1A2RARB | |
| SCHEMBL2396650 | 0.92 | NR5A1 (0.56) | NR5A1CYP3A4CYP2D6CYP1A2RARB | |
| SCHEMBL16552630 | 0.92 | CYP2D6 (0.58) | NR5A1CYP3A4CYP2D6CYP1A2RARB | |
| SCHEMBL25622018 | 0.87 | CYP1A2 (0.44) | NR5A1CYP3A4CYP2D6CYP1A2RARB | |
| SCHEMBL24727755 | 0.87 | RARB (0.63) | NR5A1CYP3A4CYP2D6CYP1A2RARB | |
| SCHEMBL10128616 | 0.87 | RARB (0.63) | NR5A1CYP3A4CYP2D6CYP1A2RARB |
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 |
|---|---|---|---|---|---|---|---|
| US-9543523-B2 | Cyclohexadiene fullerene derivatives | MERCK PATENT GMBH (DE) | 2017-01-10 | — | — | US | disclosed |
| US-20150069304-A1 | CYCLOHEXADIENE FULLERENE DERIVATIVES | NANO-C, INC. (US) | 2015-03-12 | — | — | US | disclosed |