Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.74 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.74 |
| ▸ | TP53 | P04637 | 1/20 | 0.74 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.74 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.74 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.74 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.74 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.74 |
| ▸ | DHFR | P00374 | 6/20 | 0.48 |
| ▸ | REN | P00797 | 1/20 | 0.44 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.44 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.44 |
| ▸ | HEXA | P06865 | 1/20 | 0.43 |
| ▸ | HEXB | P07686 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL8737810 | 0.86 | CYP1A2 (1.00) | CYP1A2CYP3A4TP53CYP2D6CYP2C9 | |
| SCHEMBL14813163 | 0.86 | CYP1A2 (0.86) | CYP1A2CYP3A4TP53CYP2D6CYP2C9 | |
| SCHEMBL9999991 | 0.86 | CYP1A2 (0.82) | CYP1A2CYP3A4TP53CYP2D6CYP2C9 | |
| SCHEMBL14813234 | 0.84 | CYP1A2 (0.63) | CYP1A2CYP3A4TP53CYP2D6CYP2C9 | |
| SCHEMBL7534201 | 0.84 | CYP1A2 (0.62) | CYP1A2CYP3A4TP53CYP2D6CYP2C9 | |
| SCHEMBL6049470 | 0.80 | CYP1A2 (0.57) | CYP1A2CYP3A4TP53CYP2D6CYP2C9 | |
| Etoprine SCHEMBL3919 | 0.76 | DHFR (0.70) | CYP1A2CYP3A4TP53CYP2D6CYP2C9 | |
| Metoprine SCHEMBL3681 | 0.72 | NPC1 (0.54) | CYP1A2CYP3A4TP53CYP2D6CYP2C9 | |
| Metoprine SCHEMBL29463675 | 0.72 | NPC1 (0.54) | CYP1A2CYP3A4TP53CYP2D6CYP2C9 | |
| Metoprine SCHEMBL4529657 | 0.70 | NPC1 (0.53) | CYP1A2CYP3A4TP53CYP2D6CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| US-7994184-B2 | Small molecules that replace or agonize p53 function | BUCK INSTITUTE (US) | 2011-08-09 | — | — | US | disclosed |