Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.33 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.33 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.33 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.33 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.33 |
| ▸ | GFER | P55789 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.31 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | PLEC | Q15149 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL3414080 | 0.79 | MAPT (0.32) | MAPTKMT2A | |
| SCHEMBL11232970 | 0.78 | TDP1 (0.43) | CYP3A4TSHRTDP1GABRA1GABRB1 | |
| SCHEMBL1046753 | 0.76 | CYP3A4 (0.48) | CYP3A4TSHRTDP1GABRA1GABRB1 | |
| SCHEMBL2120858 | 0.73 | CYP3A4 (0.59) | CYP3A4TSHRTDP1GABRA1GABRB1 | |
| SCHEMBL8120112 | 0.72 | NQO1 (0.33) | TSHR | |
| SCHEMBL9956000 | 0.71 | CYP2D6 (0.47) | CYP3A4TSHRTDP1GABRA1GABRB1 | |
| SCHEMBL29414354 | 0.71 | CYP2D6 (0.47) | CYP3A4TSHRTDP1GABRA1GABRB1 | |
| SCHEMBL12535526 | 0.71 | CYP3A4 (0.39) | CYP3A4TSHRTDP1GABRA1GABRB1 | |
| SCHEMBL9347051 | 0.71 | — | — | |
| SCHEMBL2925270 | 0.70 | ACHE (0.40) | TSHR |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6156940-A | Process for producing optically active carbinols | SUMIKA FINE CHEMICALS COMPANY, LIMITED (JP) | 2000-12-05 | — | — | US | disclosed |
| EP-0713848-B1 | Process for producing optically active carbinols | SUMIKA FINE CHEMICALS COMPANY (JP) | 1999-09-08 | — | — | EP | disclosed |
| US-5831132-A | REDUCING AGENT FROM BORANES AND AMINO ALCOHOLS | SUMIKA FINE CHEMICALS COMPANY, LTD. (JP) | 1998-11-03 | — | — | US | disclosed |
| EP-0713848-A1 | Process for producing optically active carbinols | SUMIKA FINE CHEMICALS Company, Limited (JP) | 1996-05-29 | — | — | EP | disclosed |