Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 10/20 | 0.45 |
| ▸ | SLC6A2 | P23975 | 7/20 | 0.45 |
| ▸ | SLC6A3 | Q01959 | 7/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | PLAU | P00749 | 1/20 | 0.41 |
| ▸ | HTR2C | P28335 | 1/20 | 0.41 |
| ▸ | HTR2B | P41595 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | DRD2 | P14416 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL845627 | 1.00 | SLC6A4 (0.45) | SLC6A4SLC6A2SLC6A3KDM4ECYP2A6 | |
| SCHEMBL5852700 | 1.00 | SLC6A4 (0.45) | SLC6A4SLC6A2SLC6A3KDM4ECYP2A6 | |
| SCHEMBL10053031 | 0.83 | SLC6A4 (0.42) | SLC6A4SLC6A2SLC6A3KDM4ECYP2A6 | |
| SCHEMBL9420903 | 0.80 | CYP2A6 (0.53) | SLC6A4SLC6A2SLC6A3KDM4ECYP2A6 | |
| SCHEMBL3756817 | 0.80 | SLC6A4 (0.46) | SLC6A4SLC6A2SLC6A3KDM4ECYP2A6 | |
| SCHEMBL10078444 | 0.78 | SLC6A4 (0.42) | SLC6A4SLC6A2SLC6A3KDM4ECYP2A6 | |
| SCHEMBL4158886 | 0.75 | PTAFR (0.37) | SLC6A2SLC6A3HTR2B | |
| SCHEMBL8958687 | 0.74 | MAPK9 (0.47) | CYP2D6CYP3A4 | |
| SCHEMBL9027488 | 0.72 | SLC6A4 (0.41) | SLC6A4SLC6A2SLC6A3KDM4ECYP2D6 | |
| SCHEMBL19328610 | 0.72 | SLC6A4 (0.41) | SLC6A4SLC6A2SLC6A3KDM4ECYP2D6 |
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-2024010529-A1 | PRODUCTION OF ENANTIOPURE ALCOHOLS, AMINES AND ACIDS FROM RACEMIC EPOXIDES BY CASCADE BIOTRANSFORMATION INVOLVING EPOXIDE ISOMERIZATION AND DYNAMIC KINETIC RESOLUTION | NATIONAL UNIVERSITY OF SINGAPORE (SG) | 2024-01-11 | — | — | WO | disclosed |