Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.47 |
| ▸ | CYP3A5 | P20815 | 3/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | KCNA5 | P22460 | 2/20 | 0.44 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.44 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.44 |
| ▸ | CCR6 | P51684 | 5/20 | 0.43 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.40 |
| ▸ | ABL1 | P00519 | 2/20 | 0.40 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL11727364 | 0.90 | CYP3A4 (0.45) | CYP3A4CYP3A5NPC1RAB9AKCNA5 | |
| SCHEMBL11721236 | 0.90 | CYP11B1 (0.46) | CYP3A4CYP3A5NPC1RAB9AKCNA5 | |
| SCHEMBL11726591 | 0.82 | CYP3A4 (0.50) | CYP3A4CYP3A5NPC1RAB9ACYP11B1 | |
| SCHEMBL11437664 | 0.81 | CYP3A4 (0.63) | CYP3A4CYP3A5NPC1RAB9ACYP11B1 | |
| SCHEMBL11631869 | 0.81 | KCNA5 (0.65) | CYP3A4KCNA5CYP11B1CYP11B2CYP1A2 | |
| Hydrochloric Acid SCHEMBL11439203 | 0.79 | CYP3A4 (0.43) | CYP3A4CYP3A5NPC1RAB9AKCNA5 | |
| SCHEMBL11434796 | 0.78 | CYP19A1 (0.64) | CYP3A4CYP3A5NPC1RAB9ACYP19A1 | |
| SCHEMBL11431939 | 0.78 | CYP3A4 (0.57) | CYP3A4CYP3A5NPC1RAB9AKCNA5 | |
| SCHEMBL3363768 | 0.78 | CCR6 (0.40) | CCR6KCNH2 | |
| SCHEMBL9794571 | 0.78 | NPC1 (0.48) | CYP3A4CYP3A5NPC1RAB9ACYP11B1 |
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 |