Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.51 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.51 |
| ▸ | TSHR | P16473 | 2/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.51 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.51 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.51 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.51 |
| ▸ | RGS12 | O14924 | 1/20 | 0.51 |
| ▸ | GLA | P06280 | 1/20 | 0.51 |
| ▸ | PKM | P14618 | 1/20 | 0.51 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.51 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.51 |
| ▸ | HTR2A | P28223 | 1/20 | 0.51 |
| ▸ | THPO | P40225 | 1/20 | 0.51 |
| ▸ | GNAI1 | P63096 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL7629478 | 1.00 | CYP3A4 (0.51) | CYP3A4CYP2C9CYP2C19ALOX15TSHR | |
| SCHEMBL18351225 | 0.83 | CA12 (0.53) | CYP3A4CYP2C9CYP2C19ALOX15TSHR | |
| SCHEMBL7567033 | 0.80 | CA12 (0.53) | CYP3A4CYP2C9CYP2C19ALOX15TSHR | |
| SCHEMBL11336488 | 0.79 | CA12 (0.56) | CYP3A4CYP2C9CYP2C19ALOX15TSHR | |
| SCHEMBL729010 | 0.79 | IDO1 (0.55) | CYP3A4CYP2C9CYP2C19ALOX15TSHR | |
| SCHEMBL32575454 | 0.79 | IDO1 (0.55) | CYP3A4CYP2C9CYP2C19ALOX15TSHR | |
| SCHEMBL28126564 | 0.75 | ALDH1A1 (0.52) | CYP3A4CYP2C9CYP2C19ALOX15TSHR | |
| SCHEMBL14283739 | 0.75 | CYP2D6 (0.56) | CYP3A4CYP2C9CYP2C19ALOX15TSHR | |
| SCHEMBL409050 | 0.73 | CA12 (0.54) | CYP3A4CYP2C9CYP2C19ALOX15TSHR | |
| SCHEMBL298855 | 0.73 | CA12 (0.54) | CYP3A4CYP2C9CYP2C19ALOX15TSHR |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20020193347-A1 | Using an optically active N-substituted chiral derivative of norephedrine as ligand for enantioselective reduction of unsaturated compounds carrying functional groups by a hydrogen transfer method | PPG-SIPSY, A CORPORATION OF FRANCE (FR) | 2002-12-19 | — | — | US | claimed |
| US-20020193347-A1 | Using an optically active N-substituted chiral derivative of norephedrine as ligand for enantioselective reduction of unsaturated compounds carrying functional groups by a hydrogen transfer method | PPG-SIPSY, A CORPORATION OF FRANCE (FR) | 2002-12-19 | — | — | US | disclosed |