Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPBAR1 | Q8TDU6 | 8/20 | 0.64 |
| ▸ | CNR1 | P21554 | 8/20 | 0.49 |
| ▸ | CNR2 | P34972 | 6/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | ALK | Q9UM73 | 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 | |
|---|---|---|---|---|
| SCHEMBL4825565 | 1.00 | GPBAR1 (0.64) | GPBAR1CNR1CNR2ALDH1A1KDM4E | |
| Trifluoroacetic Acid SCHEMBL4825612 | 0.95 | GPBAR1 (0.58) | GPBAR1CNR1CNR2ALDH1A1KDM4E | |
| SCHEMBL4825617 | 0.75 | CNR1 (0.51) | CNR1CNR2HPGD | |
| SCHEMBL14064677 | 0.75 | CNR1 (0.51) | CNR1CNR2HPGD | |
| SCHEMBL3594447 | 0.74 | CNR1 (0.50) | CNR1CNR2HPGD | |
| SCHEMBL4825560 | 0.74 | CNR1 (0.50) | CNR1CNR2HPGD | |
| SCHEMBL3517183 | 0.74 | GAA (0.46) | CNR1CNR2HPGD | |
| SCHEMBL610192 | 0.74 | TSHR (0.49) | GPBAR1CNR1TSHR | |
| SCHEMBL4823367 | 0.74 | CNR1 (0.53) | CNR1CNR2HPGD | |
| SCHEMBL5201139 | 0.74 | CNR1 (0.53) | CNR1CNR2HPGD |
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-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 |