Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX5 | P09917 | 4/20 | 0.60 |
| ▸ | CA12 | O43570 | 3/20 | 0.38 |
| ▸ | CA9 | Q16790 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.37 |
| ▸ | HPGD | P15428 | 5/20 | 0.37 |
| ▸ | USP2 | O75604 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.34 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.34 |
| ▸ | MAOA | P21397 | 1/20 | 0.34 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.34 |
| ▸ | SORD | Q00796 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL4082361 | 0.90 | ALOX5 (0.62) | ALOX5CA12CA9ALDH1A1HPGD | |
| SCHEMBL4078102 | 0.89 | ALOX5 (0.68) | ALOX5CA12CA9ALDH1A1HPGD | |
| SCHEMBL4083429 | 0.89 | ALOX5 (0.68) | ALOX5CA12CA9ALDH1A1HPGD | |
| SCHEMBL4083470 | 0.88 | ALOX5 (0.60) | ALOX5CA12CA9ALDH1A1HPGD | |
| SCHEMBL4084878 | 0.85 | ALOX5 (0.61) | ALOX5CA12CA9ALDH1A1HPGD | |
| SCHEMBL4076109 | 0.85 | ALOX5 (0.58) | ALOX5ALDH1A1HPGDUSP2LMNA | |
| SCHEMBL4080470 | 0.84 | ALOX5 (0.82) | ALOX5CA12CA9ALDH1A1HPGD | |
| SCHEMBL4088580 | 0.83 | ALOX5 (0.68) | ALOX5ALDH1A1HPGDUSP2LMNA | |
| SCHEMBL27720336 | 0.81 | ALOX5 (0.60) | ALOX5ALDH1A1HPGDUSP2LMNA | |
| SCHEMBL27720312 | 0.80 | ALOX5 (0.41) | ALOX5CA12CA9ALDH1A1HPGD |
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 |
|---|---|---|---|---|---|---|---|
| CN-101146802-A | Thiadiazole-substituted coumarin derivatives and their use as leukotriene biosynthesis inhibitors | MERCK FROSST CANADA LTD (CA) | 2008-03-19 | — | — | CN | disclosed |