Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRL1 | P41146 | 3/20 | 0.44 |
| ▸ | IDO1 | P14902 | 1/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | CYP17A1 | P05093 | 4/20 | 0.33 |
| ▸ | ABL1 | P00519 | 1/20 | 0.33 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.33 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.33 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.33 |
| ▸ | GSK3B | P49841 | 1/20 | 0.32 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.32 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.31 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL28680491 | 1.00 | OPRL1 (0.44) | OPRL1IDO1CYP2A6GAACYP17A1 | |
| SCHEMBL29368373 | 1.00 | OPRL1 (0.44) | OPRL1IDO1CYP2A6GAACYP17A1 | |
| SCHEMBL22463649 | 0.85 | OPRL1 (0.40) | OPRL1IDO1CYP2A6CYP17A1CHRNB2 | |
| SCHEMBL12480396 | 0.85 | OPRL1 (0.40) | OPRL1IDO1CYP2A6CYP17A1CHRNB2 | |
| SCHEMBL6921159 | 0.78 | RPS6KA3 (0.33) | OPRL1RPS6KA3 | |
| SCHEMBL743476 | 0.78 | RPS6KA3 (0.33) | OPRL1CYP2A6RPS6KA3 | |
| SCHEMBL16132536 | 0.76 | OPRL1 (0.57) | OPRL1IDO1CYP17A1 | |
| SCHEMBL4217673 | 0.71 | PKM (0.38) | OPRL1IDO1CYP17A1CYP11B1CYP11B2 | |
| SCHEMBL13347725 | 0.70 | OPRL1 (0.52) | OPRL1IDO1CYP17A1 | |
| SCHEMBL14902618 | 0.69 | AOC1 (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-114007615-A | Beta adrenergic agonists and methods of use thereof | 库拉森疗法公司 | 2022-02-01 | — | — | CN | disclosed |