Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRM1 | P35372 | 4/20 | 0.45 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | HDAC4 | P56524 | 3/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.35 |
| ▸ | TACR1 | P25103 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL3593948 | 0.83 | OPRM1 (0.39) | OPRM1CYP3A4 | |
| SCHEMBL4749383 | 0.79 | OPRM1 (0.44) | OPRM1HDAC1ALDH1A1HTR2AHDAC4 | |
| SCHEMBL7790394 | 0.76 | OPRM1 (0.41) | OPRM1HDAC1ALDH1A1CYP1A2TACR1 | |
| SCHEMBL27623984 | 0.74 | OPRM1 (0.47) | OPRM1HDAC1ALDH1A1HTR2AHDAC4 | |
| SCHEMBL16462854 | 0.72 | P2RX7 (0.46) | OPRM1CYP1A2CYP2D6 | |
| SCHEMBL9790835 | 0.72 | OPRM1 (0.52) | OPRM1HTR2ACYP1A2CYP2D6CYP3A4 | |
| SCHEMBL23002534 | 0.71 | OPRM1 (0.39) | OPRM1HDAC1ALDH1A1CYP1A2CYP2D6 | |
| SCHEMBL3252178 | 0.71 | OPRM1 (0.55) | OPRM1ALDH1A1HTR2ACYP1A2CYP2D6 | |
| SCHEMBL5571593 | 0.71 | FPR2 (0.43) | OPRM1ALDH1A1TACR1 | |
| Acetic Acid SCHEMBL8333150 | 0.70 | OPRM1 (0.77) | OPRM1HDAC1HTR2ACYP2D6OPRL1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1781623-A1 | COMPOUNDS AND COMPOSITIONS USEFUL AS CATHEPSIN S INHIBITORS | Novartis AG (CH) | 2007-05-09 | — | — | EP | disclosed |
| WO-2006018284-A1 | COMPOUNDS AND COMPOSITIONS USEFUL AS CATHEPSIN S INHIBITORS | NOVARTIS AG (CH) | 2006-02-23 | — | — | WO | disclosed |