Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCHR1 | Q99705 | 4/20 | 0.58 |
| ▸ | AHR | P35869 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.46 |
| ▸ | PPARG | P37231 | 1/20 | 0.44 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | APP | P05067 | 2/20 | 0.42 |
| ▸ | ATP4A | P20648 | 1/20 | 0.42 |
| ▸ | ATP4B | P51164 | 1/20 | 0.42 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.41 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.41 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | CA3 | P07451 | 1/20 | 0.40 |
| ▸ | CA4 | P22748 | 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 | |
|---|---|---|---|---|
| SCHEMBL9742375 | 0.97 | MCHR1 (0.56) | MCHR1AHRCYP3A4CYP2D6PPARG | |
| SCHEMBL9742623 | 0.96 | MCHR1 (0.56) | MCHR1AHRCYP3A4CYP2D6PPARG | |
| SCHEMBL9742632 | 0.96 | MCHR1 (0.51) | MCHR1AHRPPARGAPPCA12 | |
| SCHEMBL9741991 | 0.94 | MCHR1 (0.58) | MCHR1AHRAPP | |
| SCHEMBL9742182 | 0.94 | CYP2D6 (0.51) | MCHR1CYP3A4CYP2D6CYP19A1CYP2C9 | |
| SCHEMBL9742604 | 0.93 | MCHR1 (0.53) | MCHR1AHRCYP3A4CYP2D6CYP19A1 | |
| SCHEMBL9743728 | 0.93 | MCHR1 (0.49) | MCHR1AHRPPARGAPP | |
| SCHEMBL9743847 | 0.92 | MCHR1 (0.52) | MCHR1AHRCYP3A4CYP2D6 | |
| SCHEMBL9743290 | 0.92 | MCHR1 (0.52) | MCHR1AHRCYP3A4CYP2D6 | |
| SCHEMBL9742923 | 0.91 | MCHR1 (0.48) | MCHR1AHRPPARG |
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 |