Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK2 | O96017 | 2/20 | 0.38 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.37 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.37 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.37 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.37 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.37 |
| ▸ | ADH1B | P00325 | 4/20 | 0.34 |
| ▸ | ADH1A | P07327 | 4/20 | 0.34 |
| ▸ | ADH1C | P00326 | 3/20 | 0.32 |
| ▸ | ADH7 | P40394 | 2/20 | 0.32 |
| ▸ | ADH4 | P08319 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | DPP4 | P27487 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL20030334 | 0.80 | CHEK2 (0.40) | CHEK2CHRNB2CHRNA4CHRNB4CHRNA3 | |
| SCHEMBL15026960 | 0.79 | NOS3 (0.38) | ADH1BADH1AADH1CADH7ADH4 | |
| SCHEMBL26999088 | 0.77 | ATM (0.42) | CHEK2CHRNB2CHRNA4CHRNB4CHRNA3 | |
| SCHEMBL17930876 | 0.77 | ATM (0.42) | CHEK2CHRNB2CHRNA4CHRNB4CHRNA3 | |
| Hydrochloric Acid SCHEMBL28060420 | 0.76 | CHEK2 (0.38) | CHEK2CHRNB2CHRNA4CHRNB4CHRNA3 | |
| SCHEMBL13766532 | 0.76 | CHRNB2 (0.40) | CHEK2CHRNB2CHRNA4CHRNB4CHRNA3 | |
| SCHEMBL13762277 | 0.76 | CHEK2 (0.38) | CHEK2CHRNB2CHRNA4CHRNB4CHRNA3 | |
| SCHEMBL2472254 | 0.75 | CHRNB2 (0.39) | CHEK2CHRNB2CHRNA4CHRNB4CHRNA3 | |
| SCHEMBL26999090 | 0.75 | CHEK2 (0.37) | CHEK2CHRNB2CHRNA4CHRNB4CHRNA3 | |
| SCHEMBL3719824 | 0.74 | — | — |
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-2009136290-A1 | FUNCTIONALIZED PYRROLIDINES AND USE THEREOF AS IAP INHIBITORS | AEGERA THERAPEUTICS, INC. (CA) | 2009-11-12 | — | — | WO | disclosed |