Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 1/20 | 0.40 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.40 |
| ▸ | F2 | P00734 | 3/20 | 0.40 |
| ▸ | F3 | P13726 | 3/20 | 0.40 |
| ▸ | CFD | P00746 | 1/20 | 0.39 |
| ▸ | DHODH | Q02127 | 2/20 | 0.38 |
| ▸ | PTPN11 | Q06124 | 2/20 | 0.38 |
| ▸ | RXRA | P19793 | 1/20 | 0.37 |
| ▸ | RXRB | P28702 | 1/20 | 0.37 |
| ▸ | RXRG | P48443 | 1/20 | 0.37 |
| ▸ | CTSA | P10619 | 3/20 | 0.37 |
| ▸ | F9 | P00740 | 1/20 | 0.36 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.35 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.35 |
| ▸ | KCNK3 | O14649 | 2/20 | 0.35 |
| ▸ | KCNK9 | Q9NPC2 | 2/20 | 0.35 |
| ▸ | ACLY | P53396 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL4026660 | 0.78 | ACMSD (0.55) | CFDDHODHPTPN11AKR1C2AKR1C1 | |
| SCHEMBL4040652 | 0.77 | KIF11 (0.55) | — | |
| SCHEMBL3947686 | 0.77 | MCL1 (0.58) | CFDDHODHPTPN11AKR1C2AKR1C1 | |
| SCHEMBL3936487 | 0.76 | DCLRE1B (0.51) | CFDDHODHPTPN11AKR1C2AKR1C1 | |
| SCHEMBL3944255 | 0.76 | ACMSD (0.45) | CFDDHODHPTPN11AKR1C2AKR1C1 | |
| SCHEMBL4042656 | 0.75 | PTPN11 (0.51) | CFDPTPN11AKR1C2KCNK3KCNK9 | |
| SCHEMBL3946016 | 0.75 | KDM4E (0.53) | ROCK2ROCK1CFDDHODH | |
| SCHEMBL3944259 | 0.75 | SLC6A2 (0.44) | CFDDHODHPTPN11 | |
| SCHEMBL4046170 | 0.74 | DCLRE1B (0.50) | CFDDHODHPTPN11RXRARXRB | |
| SCHEMBL3937100 | 0.74 | KDM4E (0.47) | CFDRXRARXRBACLY |
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-2020404-A1 | Cyanomethyl substituted N-Acyl Tryptamines | Bayer Schering Pharma Aktiengesellschaft (DE) | 2009-02-04 | — | — | EP | disclosed |