Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 6/20 | 0.49 |
| ▸ | DRD3 | P35462 | 6/20 | 0.49 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.45 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.45 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.43 |
| ▸ | CYP26A1 | O43174 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 4/20 | 0.42 |
| ▸ | CA2 | P00918 | 4/20 | 0.42 |
| ▸ | ACHE | P22303 | 4/20 | 0.42 |
| ▸ | DRD4 | P21917 | 2/20 | 0.42 |
| ▸ | HTR2C | P28335 | 1/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.40 |
| ▸ | HTR2B | P41595 | 1/20 | 0.40 |
| ▸ | HTR6 | P50406 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | APP | P05067 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | SNCA | P37840 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL11221034 | 1.00 | DRD2 (0.49) | DRD2DRD3MTNR1AMTNR1BCYP19A1 | |
| SCHEMBL11224620 | 0.79 | DRD2 (0.53) | DRD2DRD3MTNR1AMTNR1BCYP19A1 | |
| SCHEMBL23343811 | 0.74 | DRD2 (0.54) | DRD2DRD3MTNR1AMTNR1BCYP19A1 | |
| SCHEMBL11669268 | 0.74 | DRD2 (0.54) | DRD2DRD3MTNR1AMTNR1BCYP19A1 | |
| SCHEMBL11669272 | 0.74 | DRD2 (0.54) | DRD2DRD3MTNR1AMTNR1BCYP19A1 | |
| SCHEMBL3961628 | 0.74 | DRD2 (0.54) | DRD2DRD3MTNR1AMTNR1BCYP19A1 | |
| SCHEMBL11669264 | 0.74 | DRD2 (0.54) | DRD2DRD3MTNR1AMTNR1BCYP19A1 | |
| SCHEMBL4681283 | 0.74 | CYP2D6 (0.41) | MTNR1AMTNR1BMEN1KMT2A | |
| SCHEMBL15043376 | 0.74 | CYP2D6 (0.41) | MTNR1AMTNR1BMEN1KMT2A | |
| SCHEMBL4361668 | 0.72 | ALDH1A1 (0.49) | DRD2DRD3MTNR1AMTNR1BCYP19A1 |
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 |