Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | VNN1 | O95497 | 3/20 | 0.40 |
| ▸ | CDK1 | P06493 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | PDE5A | O76074 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.37 |
| ▸ | LOXL2 | Q9Y4K0 | 2/20 | 0.36 |
| ▸ | PTK2 | Q05397 | 4/20 | 0.36 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.35 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.35 |
| ▸ | F10 | P00742 | 1/20 | 0.35 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.35 |
| ▸ | SUV39H1 | O43463 | 1/20 | 0.35 |
| ▸ | PRMT1 | Q99873 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL2998619 | 0.88 | F10 (0.46) | CDK1PDE5AHPGDF10PRSS1 | |
| SCHEMBL6332101 | 0.87 | CDK1 (0.39) | VNN1CDK1RAB9ANPC1KMT2A | |
| Hydrochloric Acid SCHEMBL6326771 | 0.87 | F10 (0.45) | CDK1PDE5AHPGDLOXL2F10 | |
| SCHEMBL6323093 | 0.87 | F10 (0.40) | CDK1KMT2APDE5AHPGDF10 | |
| Hydrochloric Acid SCHEMBL6324262 | 0.86 | PDE5A (0.40) | CDK1KMT2APDE5AHPGDF10 | |
| SCHEMBL8307162 | 0.84 | PDE5A (0.39) | CDK1PDE5AHPGDF10PRSS1 | |
| Hydrochloric Acid SCHEMBL6324175 | 0.83 | PDE5A (0.39) | CDK1PDE5AHPGDF10PRSS1 | |
| SCHEMBL6323907 | 0.78 | CDK1 (0.50) | CDK1PDE5ALOXL2SUV39H1PRMT1 | |
| Hydrochloric Acid SCHEMBL6325464 | 0.77 | BTK (0.40) | VNN1CDK1PDE5AF10PRSS1 | |
| SCHEMBL8311305 | 0.77 | PDE5A (0.39) | CDK1KMT2APDE5AHPGDSUV39H1 |
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-2004080970-A1 | NOVEL BICYCLIC AROMATIC COMPOUNDS, THE PRODUCTION AND USE THEREOF IN THE FORM OF DRUGS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2004-09-23 | — | — | WO | disclosed |