Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 2/20 | 0.51 |
| ▸ | GAA | P10253 | 2/20 | 0.51 |
| ▸ | CNR1 | P21554 | 8/20 | 0.50 |
| ▸ | CNR2 | P34972 | 6/20 | 0.50 |
| ▸ | FDFT1 | P37268 | 2/20 | 0.50 |
| ▸ | ACACB | O00763 | 1/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.46 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL4829870 | 1.00 | HPGD (0.51) | HPGDGAACNR1CNR2FDFT1 | |
| SCHEMBL4829825 | 0.83 | CNR1 (0.47) | CNR1CNR2FDFT1 | |
| SCHEMBL14064680 | 0.83 | CNR1 (0.47) | CNR1CNR2FDFT1 | |
| Trifluoroacetic Acid SCHEMBL4829818 | 0.78 | CNR1 (0.45) | CNR1CNR2FDFT1 | |
| SCHEMBL5201159 | 0.77 | PKM (0.48) | HPGDGAATDP1ALDH1A1 | |
| SCHEMBL3519785 | 0.77 | FDFT1 (0.46) | CNR1CNR2FDFT1 | |
| SCHEMBL13804830 | 0.77 | FDFT1 (0.60) | CNR1CNR2FDFT1 | |
| SCHEMBL3527196 | 0.77 | FDFT1 (0.60) | CNR1CNR2FDFT1 | |
| SCHEMBL4831190 | 0.77 | CNR1 (0.47) | HPGDGAACNR1CNR2FDFT1 | |
| SCHEMBL3519769 | 0.77 | FDFT1 (0.47) | CNR1CNR2FDFT1 |
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-7423067-B2 | N-(3,4-diphenyl-2-butyl)cyclopentancarboxamide derivatives such as N-(2,3-bis(4-chlorophenyl)-1-methylpropyl)-3-benzoyl-cyclopentane-carboxamide; used for treating conditions including psychological disorders, eating disorders and substance abuse | MERCK & CO., INC. (US) | 2008-09-09 | — | — | US | disclosed |
| US-7423067-B2 | N-(3,4-diphenyl-2-butyl)cyclopentancarboxamide derivatives such as N-(2,3-bis(4-chlorophenyl)-1-methylpropyl)-3-benzoyl-cyclopentane-carboxamide; used for treating conditions including psychological disorders, eating disorders and substance abuse | MERCK & CO., INC. (US) | 2008-09-09 | — | — | US | disclosed |