Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.46 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.46 |
| ▸ | MGLL | Q99685 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | HTR2C | P28335 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL1270460 | 0.90 | NPC1 (0.47) | ALDH1A1SIGMAR1MAPTHPGDL3MBTL1 | |
| SCHEMBL1270970 | 0.90 | NPC1 (0.47) | ALDH1A1SIGMAR1MAPTHPGDL3MBTL1 | |
| SCHEMBL1270933 | 0.90 | NPC1 (0.47) | ALDH1A1SIGMAR1MAPTHPGDL3MBTL1 | |
| SCHEMBL5540914 | 0.86 | HTR2A (0.40) | L3MBTL1KMT2A | |
| SCHEMBL10168839 | 0.84 | ALDH1A1 (0.45) | ALDH1A1SIGMAR1MGLL | |
| SCHEMBL25292448 | 0.82 | SIGMAR1 (0.51) | ALDH1A1SIGMAR1MAPTHPGDMAPK1 | |
| Hydrochloric Acid SCHEMBL4768007 | 0.82 | NPC1 (0.42) | ALDH1A1SIGMAR1MAPTL3MBTL1KMT2A | |
| SCHEMBL2621329 | 0.82 | SIGMAR1 (0.44) | ALDH1A1SIGMAR1MAPTHPGDMAPK1 | |
| SCHEMBL5142120 | 0.82 | CHRM2 (0.45) | ALDH1A1MGLLMAPTHPGDMAPK1 | |
| SCHEMBL11538605 | 0.81 | SIGMAR1 (0.43) | ALDH1A1SIGMAR1MAPTHPGDL3MBTL1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011128381-A1 | TRIAZOLE COMPOUNDS AS KSP INHIBITORS | NOVARTIS AG (CH) | 2011-10-20 | — | — | WO | disclosed |