Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | UHRF1 | Q96T88 | 1/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.34 |
| ▸ | PRKCI | P41743 | 1/20 | 0.32 |
| ▸ | AOC1 | P19801 | 1/20 | 0.32 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.32 |
| ▸ | NOS3 | P29474 | 3/20 | 0.32 |
| ▸ | NOS2 | P35228 | 3/20 | 0.32 |
| ▸ | NOS1 | P29475 | 2/20 | 0.32 |
| ▸ | NNMT | P40261 | 1/20 | 0.31 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.31 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.31 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.31 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.31 |
| ▸ | EGFR | P00533 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL18624692 | 0.83 | UHRF1 (0.50) | UHRF1CYP1A2CYP2A6PRKCIAOC1 | |
| SCHEMBL11581586 | 0.80 | HDAC1 (0.37) | UHRF1PRKCIAOC1AOC3MAP4K4 | |
| SCHEMBL12706566 | 0.77 | UHRF1 (0.43) | UHRF1CYP1A2CYP2A6AOC1AOC3 | |
| SCHEMBL30711414 | 0.77 | UHRF1 (0.39) | UHRF1PRKCIAOC1AOC3MAP4K4 | |
| SCHEMBL10233595 | 0.77 | UHRF1 (0.34) | UHRF1PRKCIAOC1AOC3MAP4K4 | |
| SCHEMBL10110103 | 0.77 | UHRF1 (0.34) | UHRF1PRKCIAOC1AOC3MAP4K4 | |
| SCHEMBL1584807 | 0.77 | UHRF1 (0.39) | UHRF1PRKCIAOC1AOC3MAP4K4 | |
| SCHEMBL12456743 | 0.77 | UHRF1 (0.34) | UHRF1PRKCIAOC1AOC3NNMT | |
| Hydrochloric Acid SCHEMBL20266526 | 0.75 | UHRF1 (0.38) | UHRF1PRKCIAOC1AOC3EGFR | |
| SCHEMBL23181522 | 0.74 | UHRF1 (0.35) | UHRF1CYP1A2CYP2A6NOS3NOS2 |
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-2313412-B1 | NOVEL DERIVATIVES OF PYRROLOINDOLE INHIBITORS OF HSP90, COMPOSITIONS CONTAINING SAME, AND USE THEREOF | SANOFI SA (FR) | 2013-01-02 | — | — | EP | disclosed |
| WO-2009122034-A2 | NOVEL HSP90 INHIBITORY CARBAZOLE DERIVATIVES, COMPOSITIONS CONTAINING SAME, AND USE THEREOF | SANOFI-AVENTIS (FR) | 2009-10-08 | — | — | WO | disclosed |