Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.56 |
| ▸ | RAB9A | P51151 | 1/20 | 0.56 |
| ▸ | ASIC3 | Q9UHC3 | 1/20 | 0.56 |
| ▸ | CCNT1 | O60563 | 3/20 | 0.55 |
| ▸ | CDK9 | P50750 | 3/20 | 0.55 |
| ▸ | LMNA | P02545 | 3/20 | 0.54 |
| ▸ | IDO1 | P14902 | 1/20 | 0.51 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.51 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.51 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.51 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.51 |
| ▸ | PRKDC | P78527 | 1/20 | 0.51 |
| ▸ | MGAM | O43451 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | SI | P14410 | 1/20 | 0.50 |
| ▸ | PKM | P14618 | 1/20 | 0.50 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.50 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL4427261 | 0.82 | NPC1 (0.52) | NPC1RAB9ACCNT1CDK9LMNA | |
| SCHEMBL29813608 | 0.82 | NPC1 (0.52) | NPC1RAB9ACCNT1CDK9LMNA | |
| SCHEMBL20816294 | 0.78 | CCNT1 (0.61) | NPC1RAB9ACCNT1CDK9IDO1 | |
| SCHEMBL2644131 | 0.78 | NPC1 (0.55) | NPC1RAB9ACCNT1CDK9LMNA | |
| SCHEMBL30461136 | 0.77 | RAB9A (0.69) | NPC1RAB9ALMNAIDO1MGAM | |
| SCHEMBL30461135 | 0.77 | RAB9A (0.69) | NPC1RAB9ALMNAIDO1MGAM | |
| SCHEMBL4432349 | 0.77 | CCNT1 (0.67) | CCNT1CDK9TSHR | |
| SCHEMBL28054607 | 0.77 | ALDH1A1 (0.56) | NPC1RAB9ALMNAIDO1MGAM | |
| SCHEMBL4706796 | 0.75 | PLK1 (0.61) | NPC1RAB9ALMNAIDO1MGAM | |
| Hydrochloric Acid SCHEMBL11782689 | 0.74 | KMT2A (0.63) | NPC1RAB9ACCNT1CDK9IDO1 |
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-102958921-B | Urea compound, preparation method thereof, intermediate thereof and application thereof | SHANGHAI INSTITUTE OF PHARMACEUTICAL INDUSTRY (CN) | 2016-03-23 | — | — | CN | disclosed |