Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA7 | P43166 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.35 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.35 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.35 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.34 |
| ▸ | APP | P05067 | 2/20 | 0.34 |
| ▸ | MAOB | P27338 | 3/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8990190 | 0.76 | — | — | |
| SCHEMBL7609289 | 0.76 | SLC6A3 (0.40) | CA1CA2ESR2ALDH1A1KMT2A | |
| SCHEMBL5135826 | 0.67 | CA12 (0.42) | CA12CA1CA2CA7CA9 | |
| SCHEMBL28526225 | 0.66 | NPC1 (0.32) | ALDH1A1 | |
| SCHEMBL28447735 | 0.65 | PTGS2 (0.36) | PTGS1PTGS2MEN1KMT2ASMN1; SMN2 | |
| SCHEMBL28239119 | 0.64 | CA1 (0.55) | CA12CA1CA2CA7CA9 | |
| SCHEMBL29170920 | 0.63 | NPC1 (0.42) | MAPK1TDP1MAOBALDH1A1MAOA | |
| SCHEMBL28567153 | 0.63 | NPC1 (0.36) | ALDH1A1 | |
| SCHEMBL8884493 | 0.63 | CA1 (0.52) | CA12CA1CA2CA7CA9 | |
| SCHEMBL22288164 | 0.63 | — | — |
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-2237784-A1 | ACTIVATORS OF EXECUTIONER PROCASPASES 3, 6 AND 7 | The Regents of the University of California (US) | 2010-10-13 | — | — | EP | disclosed |
| WO-2009089508-A1 | ACTIVATORS OF EXECUTIONER PROCASPASES 3, 6 AND 7 | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2009-07-16 | — | — | WO | disclosed |