Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 6/20 | 0.44 |
| ▸ | DRD3 | P35462 | 6/20 | 0.44 |
| ▸ | ACHE | P22303 | 5/20 | 0.41 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.41 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.40 |
| ▸ | HTR2C | P28335 | 1/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.40 |
| ▸ | HTR2B | P41595 | 1/20 | 0.40 |
| ▸ | HTR6 | P50406 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 4/20 | 0.40 |
| ▸ | CA2 | P00918 | 4/20 | 0.40 |
| ▸ | METAP1 | P53582 | 2/20 | 0.39 |
| ▸ | DRD4 | P21917 | 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 | |
|---|---|---|---|---|
| SCHEMBL11225618 | 1.00 | DRD2 (0.44) | DRD2DRD3ACHEMTNR1AMTNR1B | |
| SCHEMBL11224620 | 0.81 | DRD2 (0.53) | DRD2DRD3ACHEMTNR1AMTNR1B | |
| SCHEMBL11224277 | 0.78 | DRD2 (0.41) | DRD2DRD3ACHECYP19A1CA1 | |
| SCHEMBL11226905 | 0.78 | DRD2 (0.41) | DRD2DRD3ACHECYP19A1CA1 | |
| SCHEMBL4979516 | 0.77 | PARP1 (0.36) | — | |
| SCHEMBL4681066 | 0.77 | PARP1 (0.36) | — | |
| SCHEMBL14458490 | 0.74 | PNMT (0.47) | — | |
| SCHEMBL5621394 | 0.74 | PNMT (0.47) | — | |
| SCHEMBL11221636 | 0.71 | DRD2 (0.47) | DRD2DRD3ACHEMTNR1AMTNR1B | |
| SCHEMBL11221644 | 0.71 | DRD2 (0.47) | DRD2DRD3ACHEMTNR1AMTNR1B |
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 |