Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.38 |
| ▸ | GPR3 | P46089 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 6/20 | 0.36 |
| ▸ | ACHE | P22303 | 3/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL28000358 | 0.82 | CHAT (0.42) | KDM4EALDH1A1 | |
| Iodide SCHEMBL30020692 | 0.81 | CHAT (0.44) | KDM4EALDH1A1 | |
| SCHEMBL9488378 | 0.79 | CHAT (0.38) | ACHE | |
| Trifluoromethanesulfonic Acid SCHEMBL20495381 | 0.75 | GPR3 (0.38) | GPR3KCNH2ACHE | |
| Trifluoromethanesulfonic Acid SCHEMBL320422 | 0.73 | HDAC8 (0.62) | GPR3KCNH2ACHE | |
| Trifluoromethanesulfonic Acid SCHEMBL31105615 | 0.73 | HDAC8 (0.62) | GPR3KCNH2ACHE | |
| Trifluoromethanesulfonic Acid SCHEMBL29657265 | 0.73 | GPR3 (0.39) | GPR3KCNH2ACHE | |
| Trifluoromethanesulfonic Acid SCHEMBL20495457 | 0.73 | GPR3 (0.39) | GPR3KCNH2ACHE | |
| Trifluoromethanesulfonic Acid SCHEMBL7077338 | 0.72 | GPR3 (0.41) | KDM4EALDH1A1GPR3KCNH2ACHE | |
| Trifluoromethanesulfonic Acid SCHEMBL31683143 | 0.72 | GPR3 (0.41) | KDM4EALDH1A1GPR3KCNH2ACHE |
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-2417127-A1 | KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME | University Health Network (CA) | 2012-02-15 | — | — | EP | disclosed |
| WO-2010115279-A1 | KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME | UNIVERSITY HEALTH NETWORK (CA) | 2010-10-14 | — | — | WO | disclosed |