Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSC | P53634 | 1/20 | 0.53 |
| ▸ | HTR2C | P28335 | 1/20 | 0.51 |
| ▸ | HTR2B | P41595 | 1/20 | 0.51 |
| ▸ | CTSK | P43235 | 5/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.49 |
| ▸ | S1PR4 | O95977 | 2/20 | 0.48 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.48 |
| ▸ | REN | P00797 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 4/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | NTSR1 | P30989 | 1/20 | 0.46 |
| ▸ | ATM | Q13315 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | RECQL | P46063 | 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 | |
|---|---|---|---|---|
| SCHEMBL6858874 | 1.00 | CTSC (0.53) | CTSCHTR2CHTR2BCTSKTDP1 | |
| SCHEMBL6858875 | 1.00 | CTSC (0.53) | CTSCHTR2CHTR2BCTSKTDP1 | |
| SCHEMBL30487486 | 0.90 | HTR2C (0.51) | CTSCHTR2CHTR2BCTSKTDP1 | |
| SCHEMBL27534677 | 0.88 | CTSC (0.61) | CTSCHTR2CHTR2BS1PR4S1PR1 | |
| SCHEMBL5573176 | 0.88 | CTSC (0.61) | CTSCHTR2CHTR2BS1PR4S1PR1 | |
| SCHEMBL31332188 | 0.88 | CTSC (0.61) | CTSCHTR2CHTR2BS1PR4S1PR1 | |
| SCHEMBL31195775 | 0.88 | CTSC (0.56) | CTSCHTR2CHTR2BCYP1A2CYP3A4 | |
| SCHEMBL29862892 | 0.87 | CTSK (0.49) | CTSCHTR2CHTR2BCTSK | |
| SCHEMBL8773337 | 0.86 | HTR2C (0.57) | CTSCHTR2CHTR2BCYP1A2CYP3A4 | |
| SCHEMBL8130548 | 0.86 | HTR2C (0.57) | CTSCHTR2CHTR2BCYP1A2CYP3A4 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1272467-A4 | CATHEPSIN CYSTEINE PROTEASE INHIBITORS | MERCK FROSST CANADA INC (CA) | 2003-05-07 | — | — | EP | disclosed |
| EP-1272467-A1 | CATHEPSIN CYSTEINE PROTEASE INHIBITORS | MERCK FROSST CANADA INC. (CA) | 2003-01-08 | — | — | EP | disclosed |
| WO-2001077073-A1 | CATHEPSIN CYSTEINE PROTEASE INHIBITORS | MERCK FROSST CANADA & CO. (CA) | 2001-10-18 | — | — | WO | disclosed |