Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MGAM | O43451 | 4/20 | 0.43 |
| ▸ | AMY1A | P0DUB6 | 4/20 | 0.43 |
| ▸ | GAA | P10253 | 4/20 | 0.43 |
| ▸ | SI | P14410 | 4/20 | 0.43 |
| ▸ | MGAM2 | Q2M2H8 | 4/20 | 0.43 |
| ▸ | KCNMA1 | Q12791 | 2/20 | 0.39 |
| ▸ | TDO2 | P48775 | 1/20 | 0.39 |
| ▸ | CTSD | P07339 | 1/20 | 0.39 |
| ▸ | BACE1 | P56817 | 1/20 | 0.39 |
| ▸ | MGLL | Q99685 | 2/20 | 0.38 |
| ▸ | FAAH | O00519 | 1/20 | 0.38 |
| ▸ | LCK | P06239 | 1/20 | 0.38 |
| ▸ | KDR | P35968 | 1/20 | 0.38 |
| ▸ | JAK3 | P52333 | 1/20 | 0.38 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.38 |
| ▸ | NMT2 | O60551 | 1/20 | 0.38 |
| ▸ | NMT1 | P30419 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL15973817 | 0.90 | KCNMA1 (0.50) | MGAMAMY1AGAASIMGAM2 | |
| SCHEMBL15973447 | 0.89 | MGAM (0.47) | MGAMAMY1AGAASIMGAM2 | |
| SCHEMBL17910001 | 0.79 | SLC9A1 (0.49) | TDO2CTSDBACE1LCKKDR | |
| SCHEMBL15973672 | 0.79 | KCNMA1 (0.54) | MGAMAMY1AGAASIMGAM2 | |
| SCHEMBL443991 | 0.71 | GAA (0.64) | MGAMAMY1AGAASIMGAM2 | |
| SCHEMBL17909970 | 0.70 | TDO2 (0.54) | KCNMA1TDO2CTSDBACE1 | |
| SCHEMBL29717601 | 0.70 | MCL1 (0.40) | KCNMA1CTSDBACE1MGLLCA12 | |
| SCHEMBL15974286 | 0.70 | MCL1 (0.40) | BACE1MGLLJAK3CA12CA1 | |
| SCHEMBL15973598 | 0.70 | MCL1 (0.40) | KCNMA1CTSDBACE1MGLLCA12 | |
| SCHEMBL17909968 | 0.68 | CTSD (0.44) | CTSDBACE1LCKKDRJAK3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3019482-A2 | TRISUBSTITUTED BENZOTRIAZOLE DERIVATIVES AS DIHYDROOROTATE OXYGENASE INHIBITORS | Aurigene Discovery Technologies Limited (IN) | 2016-05-18 | — | — | EP | disclosed |
| WO-2014128669-A2 | TRISUBSTITUTED BENZOTRIAZOLE DERIVATIVES AS DIHYDROOROTATE OXYGENASE INHIBITORS | AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) | 2014-08-28 | — | — | WO | disclosed |