Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSL | P07711 | 1/20 | 0.64 |
| ▸ | CTSS | P25774 | 1/20 | 0.64 |
| ▸ | ATM | Q13315 | 2/20 | 0.61 |
| ▸ | CTRB1 | P17538 | 2/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.53 |
| ▸ | OPRK1 | P41145 | 3/20 | 0.52 |
| ▸ | PPARG | P37231 | 1/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | CASP1 | P29466 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL3255533 | 0.88 | ATM (0.77) | CTSLCTSSATMCTRB1ALDH1A1 | |
| SCHEMBL1362502 | 0.88 | ATM (0.77) | CTSLCTSSATMCTRB1ALDH1A1 | |
| SCHEMBL434233 | 0.88 | ATM (0.77) | CTSLCTSSATMCTRB1ALDH1A1 | |
| SCHEMBL7719287 | 0.88 | ATM (0.77) | CTSLCTSSATMCTRB1ALDH1A1 | |
| SCHEMBL11677527 | 0.85 | CTSL (0.64) | CTSLCTSSATMCTRB1ALDH1A1 | |
| SCHEMBL13168601 | 0.85 | ATM (0.69) | CTSLCTSSATMCTRB1ALDH1A1 | |
| SCHEMBL17776392 | 0.85 | ATM (0.65) | CTSLCTSSATMCTRB1ALDH1A1 | |
| SCHEMBL11075199 | 0.85 | CTSL (0.67) | CTSLCTSSATMCTRB1ALDH1A1 | |
| SCHEMBL7382186 | 0.85 | CTSL (0.64) | CTSLCTSSATMCTRB1ALDH1A1 | |
| Potassium Ion SCHEMBL11792419 | 0.85 | CTSL (0.64) | CTSLCTSSATMCTRB1ALDH1A1 |
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-1155011-A1 | DI- AND TRIPEPTIDE NITRILE DERIVATIVES AS INHIBITORS OF CATHEPSIN L AND CATHEPSIN S | AstraZeneca AB (SE) | 2001-11-21 | — | — | EP | disclosed |
| WO-2000049008-A1 | DI- AND TRIPEPTIDE NITRILE DERIVATIVES AS INHIBITORS OF CATHEPSIN L AND CATHEPSIN S | ASTRAZENECA AB (SE) | 2000-08-24 | — | — | WO | disclosed |