Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.50 |
| ▸ | CYP3A5 | P20815 | 3/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | THRB | P10828 | 1/20 | 0.45 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.44 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.44 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.44 |
| ▸ | CYP19A1 | P11511 | 5/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.43 |
| ▸ | CCR6 | P51684 | 3/20 | 0.43 |
| ▸ | ABL1 | P00519 | 3/20 | 0.42 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL9794571 | 0.87 | NPC1 (0.48) | CYP3A4CYP3A5NPC1RAB9AALDH1A1 | |
| SCHEMBL11437664 | 0.85 | CYP3A4 (0.63) | CYP3A4CYP3A5NPC1RAB9ACYP11B1 | |
| SCHEMBL29226492 | 0.83 | CYP19A1 (0.53) | CYP3A4CYP3A5RAB9AALDH1A1THRB | |
| SCHEMBL30927949 | 0.83 | CYP19A1 (0.53) | CYP3A4CYP3A5RAB9AALDH1A1THRB | |
| SCHEMBL29226497 | 0.83 | CYP19A1 (0.53) | CYP3A4CYP3A5RAB9AALDH1A1THRB | |
| SCHEMBL11433073 | 0.83 | CCR6 (0.43) | CYP19A1KCNH2CCR6ABL1 | |
| SCHEMBL30927957 | 0.83 | CYP19A1 (0.53) | CYP3A4CYP3A5RAB9AALDH1A1THRB | |
| SCHEMBL17171913 | 0.82 | CYP3A4 (0.45) | CYP3A4CYP3A5NPC1RAB9AALDH1A1 | |
| SCHEMBL11730843 | 0.82 | CYP3A4 (0.47) | CYP3A4CYP3A5NPC1RAB9AALDH1A1 | |
| SCHEMBL11434796 | 0.82 | CYP19A1 (0.64) | CYP3A4CYP3A5NPC1RAB9ACYP19A1 |
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-4043791-A | Method of regulating the growth of aquatic weeds with pyridine derivatives | ELI LILLY AND COMPANY (US) | 1977-08-23 | — | — | US | disclosed |