Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 5/20 | 0.53 |
| ▸ | DRD3 | P35462 | 5/20 | 0.53 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.50 |
| ▸ | ACHE | P22303 | 5/20 | 0.49 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.48 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.48 |
| ▸ | METAP1 | P53582 | 2/20 | 0.46 |
| ▸ | CA1 | P00915 | 4/20 | 0.46 |
| ▸ | CA2 | P00918 | 4/20 | 0.46 |
| ▸ | CYP26A1 | O43174 | 1/20 | 0.46 |
| ▸ | DRD4 | P21917 | 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 | |
|---|---|---|---|---|
| SCHEMBL11219696 | 0.81 | DRD2 (0.44) | DRD2DRD3CYP19A1ACHEMTNR1A | |
| SCHEMBL11225618 | 0.81 | DRD2 (0.44) | DRD2DRD3CYP19A1ACHEMTNR1A | |
| SCHEMBL11221031 | 0.79 | DRD2 (0.49) | DRD2DRD3CYP19A1ACHEMTNR1A | |
| SCHEMBL11221034 | 0.79 | DRD2 (0.49) | DRD2DRD3CYP19A1ACHEMTNR1A | |
| SCHEMBL13241438 | 0.77 | ACHE (0.44) | ACHEMETAP1 | |
| SCHEMBL13241439 | 0.77 | ACHE (0.44) | ACHEMETAP1 | |
| SCHEMBL6053239 | 0.76 | CYP19A1 (0.45) | CYP19A1 | |
| SCHEMBL13866813 | 0.76 | DRD2 (0.50) | DRD2DRD3CA1CA2DRD4 | |
| SCHEMBL4361668 | 0.76 | ALDH1A1 (0.49) | DRD2DRD3CYP19A1MTNR1AMTNR1B | |
| SCHEMBL13799409 | 0.76 | DRD2 (0.56) | DRD2DRD3CYP19A1ACHEMTNR1A |
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-4332810-A | N-(Substituted)-2,5-ethano-8-hydroxy (or methoxy)-1,2,3,4,5,6-hexahydro-3 (or 4)-benzazocine centrally-acting analgesics | MERCK & CO., INC. (US) | 1982-06-01 | — | — | US | disclosed |