Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.56 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.55 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.52 |
| ▸ | HPGD | P15428 | 2/20 | 0.52 |
| ▸ | HTT | P42858 | 2/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.52 |
| ▸ | MAPT | P10636 | 1/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.51 |
| ▸ | LMNA | P02545 | 3/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 4/20 | 0.49 |
| ▸ | TSHR | P16473 | 2/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.49 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 3/20 | 0.48 |
| ▸ | GAA | P10253 | 2/20 | 0.48 |
| ▸ | STAT1 | P42224 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL1784054 | 0.82 | ALDH1A1 (0.59) | ALDH1A1TDP1NPSR1CYP2C19HPGD | |
| SCHEMBL2439121 | 0.82 | ALDH1A1 (0.59) | ALDH1A1TDP1NPSR1CYP2C19HPGD | |
| SCHEMBL11790901 | 0.81 | ALDH1A1 (0.58) | ALDH1A1TDP1NPSR1CYP2C19HPGD | |
| SCHEMBL9299532 | 0.80 | ALDH1A1 (0.56) | ALDH1A1TDP1NPSR1CYP2C19HPGD | |
| SCHEMBL8753633 | 0.80 | ALDH1A1 (0.56) | ALDH1A1TDP1NPSR1CYP2C19HPGD | |
| SCHEMBL10333082 | 0.80 | ALDH1A1 (0.56) | ALDH1A1TDP1NPSR1CYP2C19HPGD | |
| SCHEMBL24013287 | 0.79 | ALDH1A1 (0.63) | ALDH1A1TDP1NPSR1CYP2C19HPGD | |
| SCHEMBL8712515 | 0.79 | ALDH1A1 (0.63) | ALDH1A1TDP1NPSR1CYP2C19HPGD | |
| Dimethylamine SCHEMBL1788162 | 0.79 | ALDH1A1 (0.55) | ALDH1A1TDP1NPSR1CYP2C19HPGD | |
| SCHEMBL7565349 | 0.78 | ALDH1A1 (0.59) | ALDH1A1HPGDMAPTKDM4ELMNA |
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 |
|---|---|---|---|---|---|---|---|
| US-6271238-B1 | USEFUL IN TREATING AND PREVENTING DISEASES INVOLVING CHYMOTRYPSIN TYPE PROTEASES WHICH ARE RELATED TO ASTHMA, ALLERGY, INFLAMMATIONS, RHEUMATISM, HYPERTENSION, HEART FAILURE, MYOCARDIAL INFARCTION, AND CARDIAC HYPERTROPHY | NIPPON KAYAKU KABUSHIKI KAISHA (JP) | 2001-08-07 | — | — | US | disclosed |
| EP-0936216-A1 | NOVEL ACETAMIDE DERIVATIVES AND PROTEASE INHIBITORS | NIPPON KAYAKU KABUSHIKI KAISHA (JP) | 1999-08-18 | — | — | EP | disclosed |