Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA3 | P07451 | 1/20 | 0.38 |
| ▸ | CA4 | P22748 | 1/20 | 0.38 |
| ▸ | CA6 | P23280 | 1/20 | 0.38 |
| ▸ | CA5A | P35218 | 1/20 | 0.38 |
| ▸ | CA7 | P43166 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.38 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.38 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.38 |
| ▸ | FAAH | O00519 | 1/20 | 0.37 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | GAA | P10253 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | DAO | P14920 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL11436968 | 0.74 | CA1 (0.44) | ALDH1A1CA12CA1CA3CA4 | |
| SCHEMBL9372764 | 0.71 | CA1 (0.48) | ALDH1A1CA12CA1CA3CA4 | |
| SCHEMBL4425921 | 0.67 | CA1 (0.48) | ALDH1A1CA12CA1CA3CA4 | |
| SCHEMBL6648576 | 0.67 | CA1 (0.48) | ALDH1A1CA12CA1CA3CA4 | |
| SCHEMBL29203954 | 0.67 | CA1 (0.48) | ALDH1A1CA12CA1CA3CA4 | |
| SCHEMBL927313 | 0.65 | AOC3 (0.46) | ALDH1A1AOC3KDM4EGAAMAPT | |
| Carbamic Acid SCHEMBL27418564 | 0.63 | CA12 (0.77) | ALDH1A1CA12CA1CA3CA4 | |
| SCHEMBL29156445 | 0.62 | CA1 (0.42) | ALDH1A1CA12CA1CA3CA4 | |
| Indole SCHEMBL677560 | 0.62 | AHR (0.63) | ALDH1A1CA1CA4CA6KDM4E | |
| SCHEMBL13936946 | 0.61 | IDO1 (0.57) | ALDH1A1KDM4EGAAMAPK1LOXL2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6706732-B1 | PROPHYLACTIC AND THERAPEUTIC EFFECT ON MYOCARDIAL INFARCTION AND ACCOMPANYING DYSFUNCTIONS, ARRHYTHMIA, UNSTABLE ANGINA, CARDIAC HYPERTROPHY, ETC.; SODIUM-PROTON EXCHANGE INHIBITION | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2004-03-16 | — | — | US | disclosed |