Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 7/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | CTSC | P53634 | 2/20 | 0.33 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.31 |
| ▸ | RECQL | P46063 | 1/20 | 0.31 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | GLA | P06280 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | DPP4 | P27487 | 1/20 | 0.30 |
| ▸ | CACNA1G | O43497 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 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 | |
|---|---|---|---|---|
| SCHEMBL19286219 | 0.84 | CTSC (0.49) | CYP2C19CYP2C9CYP3A4CTSCCYP2D6 | |
| SCHEMBL19286288 | 0.81 | RECQL (0.36) | CYP2C19HSD17B10CYP2C9CYP3A4EPHX2 | |
| SCHEMBL17470180 | 0.73 | CYP2C19 (0.31) | CYP2C19HSD17B10CYP2C9CYP3A4EPHX2 | |
| SCHEMBL19286313 | 0.70 | SMN1; SMN2 (0.43) | EPHX2ALDH1A1 | |
| SCHEMBL19286266 | 0.70 | ALDH1A1 (0.36) | EPHX2RECQLALDH1A1 | |
| SCHEMBL19286250 | 0.69 | HTT (0.40) | EPHX2ALDH1A1GAAHPGD | |
| SCHEMBL19286301 | 0.69 | HTT (0.40) | EPHX2ALDH1A1GAAHPGD | |
| SCHEMBL19286280 | 0.68 | AOC3 (0.36) | CYP2C19HSD17B10CYP2C9CYP3A4CYP2D6 | |
| SCHEMBL19286274 | 0.68 | ALPL (0.31) | — | |
| SCHEMBL19286264 | 0.67 | ALDH1A1 (0.36) | RECQLALDH1A1 |
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 |