Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.33 |
| ▸ | GRM5 | P41594 | 1/20 | 0.31 |
| ▸ | MAOA | P21397 | 1/20 | 0.30 |
| ▸ | MAOB | P27338 | 1/20 | 0.30 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | THRB | P10828 | 1/20 | 0.30 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.30 |
| ▸ | TRPA1 | O75762 | 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 | |
|---|---|---|---|---|
| SCHEMBL5962213 | 0.86 | CYP2A6 (0.39) | CYP1A2CYP2A6MAOAMAOBTP53 | |
| SCHEMBL5700519 | 0.86 | CYP2A6 (0.39) | CYP1A2CYP2A6GRM5MAOAMAOB | |
| SCHEMBL98000 | 0.75 | TDP1 (0.42) | CYP1A2CYP2A6MAOAMAOBTP53 | |
| SCHEMBL1314814 | 0.75 | TDP1 (0.42) | CYP1A2CYP2A6GRM5MAOAMAOB | |
| SCHEMBL21409675 | 0.74 | KDM4E (0.37) | CYP3A4 | |
| SCHEMBL21409747 | 0.74 | HSP90AA1 (0.32) | — | |
| SCHEMBL5700336 | 0.74 | VCAM1 (0.35) | TP53CYP3A4ALOX15SMN1; SMN2TDP1 | |
| SCHEMBL8321394 | 0.71 | TDP1 (0.52) | CYP1A2CYP2A6TP53CYP3A4THRB | |
| SCHEMBL21201424 | 0.71 | NFE2L2 (0.36) | CYP1A2CYP2A6MAOAMAOBTP53 | |
| SCHEMBL3083170 | 0.71 | ALDH1A1 (0.35) | CYP1A2CYP2A6MAOAMAOBTP53 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1146037-B1 | PROCESS FOR THE PREPARATION OF OPTICALLY ACTIVE AMINO ALCOHOLS | NIPPON SODA CO (JP) | 2006-06-21 | — | — | EP | disclosed |
| US-6410749-B1 | REACTING A CARBONYL COMPOUND WITH ORGANOMETALLIC COMPOUND | NIPPON SODA CO., LTD. (JP) | 2002-06-25 | — | — | US | disclosed |
| EP-1146037-A1 | PROCESS FOR THE PREPARATION OF OPTICALLY ACTIVE AMINO ALCOHOLS | NIPPON SODA CO., LTD. (JP) | 2001-10-17 | — | — | EP | disclosed |