Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AURKB | Q96GD4 | 1/20 | 0.51 |
| ▸ | KLKB1 | P03952 | 7/20 | 0.49 |
| ▸ | PLG | P00747 | 8/20 | 0.47 |
| ▸ | KLK1 | P06870 | 8/20 | 0.47 |
| ▸ | KLK6 | Q92876 | 8/20 | 0.47 |
| ▸ | PRKCI | P41743 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL28047492 | 0.82 | MEN1 (0.53) | AURKBMEN1NPC1RAB9AKMT2A | |
| SCHEMBL27484183 | 0.81 | FADS1 (0.60) | AURKBKLKB1PLGKLK1KLK6 | |
| SCHEMBL392794 | 0.78 | ALDH1A1 (0.59) | PRKCIMEN1NPC1RAB9AKMT2A | |
| SCHEMBL27483855 | 0.77 | KLKB1 (0.64) | KLKB1PLGKLK1KLK6NPC1 | |
| Hydrochloric Acid SCHEMBL11743648 | 0.76 | ALDH1A1 (0.58) | PRKCIMEN1NPC1RAB9AKMT2A | |
| SCHEMBL27826357 | 0.74 | NPC1 (0.61) | MEN1NPC1RAB9AKMT2A | |
| SCHEMBL29029890 | 0.74 | ALDH1A1 (0.64) | PRKCIMEN1NPC1RAB9AKMT2A | |
| SCHEMBL12491782 | 0.73 | MEN1 (0.66) | PRKCIMEN1NPC1RAB9AKMT2A | |
| SCHEMBL17538569 | 0.73 | ALDH1A1 (0.63) | AURKBPLGKLK1KLK6MEN1 | |
| SCHEMBL27708481 | 0.73 | MAPT (0.55) | MEN1KMT2A |
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-103435562-A | 6-substituted benzodiazepine-2,4-diketone compound and application thereof | UNIV EAST CHINA SCIENCE & TECH | 2013-12-11 | — | — | CN | disclosed |