Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | PLA2G4A | P47712 | 3/20 | 0.40 |
| ▸ | CES1 | P23141 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | BLM | P54132 | 1/20 | 0.37 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | F10 | P00742 | 6/20 | 0.36 |
| ▸ | CTSK | P43235 | 1/20 | 0.35 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.34 |
| ▸ | F2 | P00734 | 2/20 | 0.34 |
| ▸ | F11 | P03951 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8800894 | 0.94 | ALDH1A1 (0.44) | ALDH1A1PLA2G4ACES1ALOX15BLM | |
| SCHEMBL7377556 | 0.86 | ALDH1A1 (0.43) | ALDH1A1PLA2G4ACES1F10CTSK | |
| SCHEMBL7375810 | 0.85 | GSR (0.43) | ALDH1A1PLA2G4ACES1F10CTSK | |
| SCHEMBL7378372 | 0.81 | ALDH1A1 (0.42) | ALDH1A1PLA2G4ACES1KMT2ACTSK | |
| Hydrochloric Acid SCHEMBL28172161 | 0.81 | PLA2G4A (0.40) | ALDH1A1PLA2G4ACES1F10CTSK | |
| SCHEMBL8801010 | 0.79 | F10 (0.44) | F10CTSKF2F11 | |
| SCHEMBL8802462 | 0.77 | ALDH1A1 (0.44) | ALDH1A1PLA2G4ACES1KMT2AF10 | |
| SCHEMBL27699627 | 0.76 | ALDH1A1 (0.50) | ALDH1A1PLA2G4ACES1 | |
| SCHEMBL7373337 | 0.76 | ARG1 (0.64) | ALDH1A1PLA2G4ACES1F10CTSK | |
| SCHEMBL7373336 | 0.76 | TBXAS1 (0.44) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6291678-B1 | CAN BE INCORPORATED IN INHIBITORS OF SERINE PROTEASES WHICH ARE USED IN THERAPY OF ABNORMAL COAGULATION; THERAPY OR PROPHYLAXIS OF SEPTIC SHOCK, ATHEROSCLEROSIS, ALZHEIMER'S AND PARKINSON'S DISEASE | WARNER-LAMBERT COMPANY | 2001-09-18 | — | — | US | disclosed |
| EP-0906296-A1 | PROCESS FOR THE PREPARATION OF CHIRAL KETO-HETEROCYCLES OF BASIC AMINO ACIDS | WARNER-LAMBERT COMPANY LLC (US) | 1999-04-07 | — | — | EP | disclosed |
| WO-1997048687-A1 | PROCESS FOR THE PREPARATION OF CHIRAL KETO-HETEROCYCLES OF BASIC AMINO ACIDS | WARNER-LAMBERT COMPANY (US) | 1997-12-24 | — | — | WO | disclosed |