Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 12/20 | 0.48 |
| ▸ | CTSS | P25774 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | HRH2 | P25021 | 1/20 | 0.38 |
| ▸ | HRH1 | P35367 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL19014943 | 1.00 | CTSK (0.48) | CTSKCTSSCYP2D6CYP1A2CYP2C9 | |
| SCHEMBL16827590 | 1.00 | CTSK (0.48) | CTSKCTSSCYP2D6CYP1A2CYP2C9 | |
| SCHEMBL8214152 | 0.88 | CTSK (0.47) | CTSKCTSSCYP2D6 | |
| SCHEMBL3414965 | 0.85 | CYP1A2 (0.51) | CTSKCTSSCYP2D6CYP1A2CYP2C9 | |
| SCHEMBL19430414 | 0.84 | CTSK (0.47) | CTSKCTSS | |
| SCHEMBL17537273 | 0.84 | CTSK (0.44) | CTSKCTSSCYP2D6CYP1A2CYP2C9 | |
| SCHEMBL8972545 | 0.83 | CTSK (0.50) | CTSKCTSSCYP2D6CYP1A2CYP2C9 | |
| SCHEMBL19014947 | 0.82 | CTSK (0.43) | CTSKCTSSCYP2D6CYP1A2CYP2C9 | |
| SCHEMBL3689498 | 0.82 | CYP2D6 (0.55) | CTSKCTSSCYP2D6CYP1A2CYP2C9 | |
| SCHEMBL168389 | 0.82 | CYP2D6 (0.55) | CTSKCTSSCYP2D6CYP1A2CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017173313-A1 | BETA-AMIMO PATEAMINE A DERIVATIVES AND METHODS FOR TREATING CHRONIC LYMPHOCYTIC LEUKEMIA | THE TEXAS A&M UNIVERSITY SYSTEM (US) | 2017-10-05 | — | — | WO | disclosed |
| US-8791162-B2 | Cathepsin cysteine protease inhibitors | MERCK SHARP & DOHME CORP. (US) | 2014-07-29 | — | — | US | disclosed |