Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCHR1 | Q99705 | 3/20 | 0.54 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.52 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.52 |
| ▸ | ESR1 | P03372 | 2/20 | 0.45 |
| ▸ | AHR | P35869 | 1/20 | 0.45 |
| ▸ | APP | P05067 | 2/20 | 0.45 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | ERN1 | O75460 | 1/20 | 0.43 |
| ▸ | NQO1 | P15559 | 1/20 | 0.42 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.42 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.42 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.42 |
| ▸ | TUBB | P07437 | 1/20 | 0.42 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.42 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.42 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.42 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL9741989 | 0.95 | CYP11B1 (0.49) | MCHR1CYP11B1CYP11B2ESR1AHR | |
| SCHEMBL9743957 | 0.94 | NQO1 (0.48) | MCHR1CYP11B1CYP11B2CYP19A1KDM4E | |
| SCHEMBL9744218 | 0.91 | ESR1 (0.50) | MCHR1CYP11B1CYP11B2ESR1AHR | |
| SCHEMBL9742978 | 0.89 | NQO1 (0.54) | CYP11B1CYP11B2CYP19A1GAANQO1 | |
| SCHEMBL9741991 | 0.88 | MCHR1 (0.58) | MCHR1AHRAPPERN1TUBB4A | |
| SCHEMBL9743201 | 0.88 | MCHR1 (0.58) | MCHR1CYP11B1CYP11B2AHRAPP | |
| SCHEMBL9743177 | 0.88 | CYP11B1 (0.43) | MCHR1CYP11B1CYP11B2CYP19A1KDM4E | |
| SCHEMBL9742321 | 0.87 | APP (0.53) | MCHR1CYP11B1CYP11B2APPNQO1 | |
| SCHEMBL9743773 | 0.87 | MCHR1 (0.46) | MCHR1CYP11B1CYP11B2CYP19A1ALDH1A1 | |
| SCHEMBL9743907 | 0.87 | CYP3A4 (0.47) | MCHR1CYP11B1CYP11B2CYP19A1KDM4E |
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-5084204-A | Naphthylacetylenes | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1992-01-28 | — | — | US | disclosed |