Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LIPG | Q9Y5X9 | 3/20 | 0.35 |
| ▸ | LPL | P06858 | 2/20 | 0.35 |
| ▸ | P4HB | P07237 | 1/20 | 0.35 |
| ▸ | CNR1 | P21554 | 6/20 | 0.34 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.33 |
| ▸ | KDR | P35968 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.32 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL4868406 | 0.79 | KDM4E (0.42) | CNR1KDM4EALDH1A1HPGDNPSR1 | |
| SCHEMBL14588690 | 0.79 | CNR1 (0.38) | CNR1KDM4EALDH1A1HPGDNPSR1 | |
| SCHEMBL4868416 | 0.79 | ALDH1A1 (0.41) | CNR1KDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL4863014 | 0.77 | KDM4E (0.37) | CNR1KDM4EALDH1A1HPGDNPSR1 | |
| SCHEMBL4867441 | 0.76 | CNR1 (0.41) | CNR1KDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL8285503 | 0.76 | TRPA1 (0.47) | CNR1KDM4EALDH1A1HPGDNPSR1 | |
| SCHEMBL4867176 | 0.75 | NR4A2 (0.41) | CNR1KDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL4868951 | 0.74 | SLC6A4 (0.46) | CNR1KDM4EALDH1A1HPGDCYP1A2 | |
| SCHEMBL4871083 | 0.74 | ALDH1A1 (0.41) | KDM4EALDH1A1HPGDHSD17B10TSHR | |
| SCHEMBL24031220 | 0.74 | TARBP2 (0.41) | DGAT1KDM4EALDH1A1HPGDHSD17B10 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7319101-B2 | COMT inhibitors for the treatment of depression and impaired cognition | HOFFMANN-LA ROCHE INC. (US) | 2008-01-15 | — | — | US | disclosed |
| US-7319101-B2 | COMT inhibitors for the treatment of depression and impaired cognition | HOFFMANN-LA ROCHE INC. (US) | 2008-01-15 | — | — | US | disclosed |
| EP-1697394-B1 | COMT INHIBITORS | HOFFMANN LA ROCHE (CH) | 2007-03-21 | — | — | EP | disclosed |
| WO-2005058228-A2 | COMT INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2005-06-30 | — | — | WO | disclosed |