Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | MAOA | P21397 | 1/20 | 0.30 |
| ▸ | MAOB | P27338 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL17469999 | 0.81 | MEN1 (0.34) | CYP3A4TDP1 | |
| SCHEMBL12951432 | 0.80 | CYP3A4 (0.35) | CYP3A4TDP1KDM4EGAA | |
| SCHEMBL15344680 | 0.77 | ROCK2 (0.33) | — | |
| SCHEMBL17058591 | 0.75 | CYP3A4 (0.31) | CYP3A4TDP1KDM4E | |
| SCHEMBL15684599 | 0.73 | CYP3A4 (0.35) | CYP3A4TDP1 | |
| SCHEMBL19286305 | 0.72 | HTT (0.42) | TDP1GAA | |
| SCHEMBL6544819 | 0.70 | CYP3A4 (0.39) | CYP3A4TDP1KDM4EGAA | |
| SCHEMBL668759 | 0.66 | CYP3A4 (0.42) | CYP3A4TDP1KDM4EMAOA | |
| SCHEMBL16292891 | 0.66 | CYP3A4 (0.42) | CYP3A4TDP1KDM4EMAOA | |
| SCHEMBL29053288 | 0.66 | CYP3A4 (0.42) | CYP3A4TDP1KDM4EMAOA |
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 |
|---|---|---|---|---|---|---|---|
| US-9744528-B2 | Metallorganocatalysis for asymmetric transformations | RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) | 2017-08-29 | — | — | US | disclosed |