Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 6/20 | 0.31 |
| ▸ | DRD1 | P21728 | 6/20 | 0.31 |
| ▸ | DRD4 | P21917 | 6/20 | 0.31 |
| ▸ | DRD5 | P21918 | 6/20 | 0.31 |
| ▸ | DRD3 | P35462 | 6/20 | 0.31 |
| ▸ | DRD2 | P14416 | 5/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.30 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.30 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL6453435 | 1.00 | HTR1A (0.31) | HTR1ADRD1DRD4DRD5DRD3 | |
| SCHEMBL6453441 | 1.00 | HTR1A (0.31) | HTR1ADRD1DRD4DRD5DRD3 | |
| SCHEMBL6460311 | 1.00 | HTR1A (0.31) | HTR1ADRD1DRD4DRD5DRD3 | |
| SCHEMBL6452006 | 0.99 | OPRL1 (0.31) | HTR1ADRD1DRD4DRD5DRD3 | |
| SCHEMBL6452013 | 0.99 | OPRL1 (0.31) | HTR1ADRD1DRD4DRD5DRD3 | |
| SCHEMBL6460343 | 0.96 | TP53 (0.32) | OPRL1 | |
| SCHEMBL6460334 | 0.96 | TP53 (0.32) | OPRL1 | |
| SCHEMBL6451848 | 0.92 | OPRL1 (0.32) | OPRL1 | |
| SCHEMBL6451851 | 0.92 | OPRL1 (0.32) | OPRL1 | |
| SCHEMBL6457272 | 0.88 | OPRL1 (0.31) | OPRL1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6913797-B1 | Decahydronaphthalene derivative | DAINIPPON INK AND CHEMICALS, INC. (JP) | 2005-07-05 | — | — | US | disclosed |
| EP-1108700-A1 | DECAHYDRONAPHTHALENE DERIVATIVE | DAINIPPON INK AND CHEMICALS, INC. (JP) | 2001-06-20 | — | — | EP | disclosed |