Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDCD1 | Q15116 | 1/20 | 0.41 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.34 |
| ▸ | GABRA1 | P14867 | 3/20 | 0.33 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.33 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.33 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.33 |
| ▸ | CTBP2 | P56545 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.33 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.33 |
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.33 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL148754 | 0.85 | PDCD1 (0.45) | PDCD1CD274CYP2A6CYP1A2ALDH1A1 | |
| SCHEMBL7595125 | 0.85 | TAAR1 (0.37) | CYP2A6CYP1A2ALDH1A1GABRA1TAAR1 | |
| SCHEMBL3767513 | 0.81 | GABRA1 (0.48) | CYP1A2ALDH1A1GABRA1TAAR1CYP3A4 | |
| SCHEMBL13180248 | 0.81 | GABRA1 (0.43) | PDCD1CD274CYP2A6CYP1A2ALDH1A1 | |
| SCHEMBL1072053 | 0.79 | CYP2A6 (0.43) | CYP2A6CYP1A2ALDH1A1TAAR1TRPA1 | |
| SCHEMBL20558408 | 0.79 | TAAR1 (0.42) | PDCD1CD274CYP2A6CYP1A2ALDH1A1 | |
| SCHEMBL869978 | 0.77 | PTGS2 (0.51) | CYP1A2CTBP2MEN1KMT2A | |
| SCHEMBL6525315 | 0.77 | APOBEC3G (0.35) | PDCD1CD274CYP1A2APOBEC3GGABRA1 | |
| SCHEMBL8119182 | 0.75 | AKR1B1 (0.41) | CYP2A6CYP1A2APOBEC3GTAAR1CYP3A4 | |
| SCHEMBL8127229 | 0.75 | TAAR1 (0.38) | PDCD1CD274ALDH1A1APOBEC3GTAAR1 |
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 |