Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GLS | O94925 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.45 |
| ▸ | NQO2 | P16083 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | FAAH | O00519 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | MMP13 | P45452 | 1/20 | 0.43 |
| ▸ | BRD4 | O60885 | 1/20 | 0.43 |
| ▸ | KDM4A | O75164 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL1111369 | 0.91 | GLS (0.52) | GLSCYP3A4NQO2BRD4KDM4A | |
| SCHEMBL30151702 | 0.91 | GLS (0.52) | GLSCYP3A4NQO2BRD4KDM4A | |
| SCHEMBL28246608 | 0.86 | CYP3A4 (0.49) | GLSCYP3A4ALDH1A1HTTSMN1; SMN2 | |
| SCHEMBL7017296 | 0.86 | BRD4 (0.50) | GLSCYP3A4NQO2BRD4KDM4A | |
| SCHEMBL2572109 | 0.83 | HDAC1 (0.52) | GLSNQO2BRD4KDM4A | |
| SCHEMBL3418637 | 0.83 | ALDH1A1 (0.62) | RAB9AALDH1A1HTTSMN1; SMN2MMP13 | |
| SCHEMBL241141 | 0.83 | ALDH1A1 (0.58) | CYP3A4EPHX1NPC1RAB9AFAAH | |
| SCHEMBL18526150 | 0.80 | MAPK14 (0.58) | GLSMMP13 | |
| SCHEMBL31336502 | 0.80 | GLS (0.47) | GLSALDH1A1HTTSMN1; SMN2MMP13 | |
| SCHEMBL27980077 | 0.80 | GLS (0.47) | GLSALDH1A1HTTSMN1; SMN2MMP13 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1302463-A1 | MEDICINE COMPRISING DICYANOPYRIDINE DERIVATIVE | YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) | 2003-04-16 | — | — | EP | disclosed |