Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | ADORA2B | P29275 | 3/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | CTRC | Q99895 | 4/20 | 0.43 |
| ▸ | CMA1 | P23946 | 4/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | ELANE | P08246 | 4/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL7962958 | 0.99 | ALDH1A1 (0.46) | ALDH1A1ADORA2BL3MBTL1HPGDHSD17B10 | |
| SCHEMBL7293146 | 0.81 | ALDH1A1 (0.48) | ALDH1A1ADORA2BL3MBTL1HPGDHSD17B10 | |
| SCHEMBL7961174 | 0.81 | ALDH1A1 (0.45) | ALDH1A1ADORA2BL3MBTL1HPGDHSD17B10 | |
| SCHEMBL7474776 | 0.79 | ALDH1A1 (0.46) | ALDH1A1ADORA2BL3MBTL1HPGDHSD17B10 | |
| SCHEMBL7962214 | 0.79 | ALDH1A1 (0.46) | ALDH1A1ADORA2BL3MBTL1HPGDHSD17B10 | |
| SCHEMBL6239360 | 0.78 | CMA1 (0.53) | HSD17B10CTRCCMA1KDM4EELANE | |
| Hydrochloric Acid SCHEMBL6805327 | 0.77 | CMA1 (0.53) | HSD17B10CTRCCMA1KDM4EELANE | |
| SCHEMBL6804111 | 0.77 | CMA1 (0.53) | HSD17B10CTRCCMA1KDM4EELANE | |
| SCHEMBL7959205 | 0.76 | ALDH1A1 (0.49) | ALDH1A1ADORA2BL3MBTL1HPGDKDM4E | |
| SCHEMBL6804114 | 0.75 | CMA1 (0.51) | CTRCCMA1ELANE |
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 |