Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 6/20 | 0.68 |
| ▸ | CYP17A1 | P05093 | 3/20 | 0.54 |
| ▸ | CYP19A1 | P11511 | 5/20 | 0.50 |
| ▸ | CYP3A5 | P20815 | 2/20 | 0.50 |
| ▸ | KCNA5 | P22460 | 5/20 | 0.49 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL5754003 | 0.88 | CYP3A4 (0.80) | CYP3A4CYP17A1CYP19A1RAB9A | |
| SCHEMBL20148789 | 0.86 | CYP3A4 (0.62) | CYP3A4CYP19A1CYP3A5KCNA5KCNH2 | |
| SCHEMBL11431939 | 0.85 | CYP3A4 (0.57) | CYP3A4CYP17A1CYP3A5KCNA5KCNH2 | |
| SCHEMBL11624747 | 0.84 | KCNA5 (0.61) | CYP3A4CYP17A1KCNA5KCNH2 | |
| SCHEMBL11626609 | 0.83 | CYP3A4 (0.58) | CYP3A4CYP17A1CYP19A1CYP3A5KCNA5 | |
| SCHEMBL11632938 | 0.82 | CYP3A4 (0.55) | CYP3A4CYP19A1CYP3A5KCNA5KCNH2 | |
| SCHEMBL13498008 | 0.82 | CYP3A4 (0.58) | CYP3A4CYP17A1 | |
| SCHEMBL11630092 | 0.82 | CYP3A4 (0.56) | CYP3A4CYP19A1CYP3A5KCNA5KCNH2 | |
| SCHEMBL11628668 | 0.82 | CYP19A1 (0.64) | CYP3A4CYP17A1CYP19A1CYP3A5KCNA5 | |
| SCHEMBL4473850 | 0.81 | CYP19A1 (0.64) | CYP3A4CYP19A1CYP3A5RAB9A |
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-4116665-A | Method of regulating the growth of aquatic weeds with pyridine derivatives | ELI LILLY AND COMPANY (US) | 1978-09-26 | — | — | US | claimed |
| US-4116665-A | Method of regulating the growth of aquatic weeds with pyridine derivatives | ELI LILLY AND COMPANY (US) | 1978-09-26 | — | — | US | disclosed |