Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 3/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 5/20 | 0.35 |
| ▸ | ACHE | P22303 | 3/20 | 0.35 |
| ▸ | TP53 | P04637 | 3/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.35 |
| ▸ | GRM5 | P41594 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.31 |
| ▸ | NQO2 | P16083 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | ALOX12 | P18054 | 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 | |
|---|---|---|---|---|
| SCHEMBL5700517 | 0.86 | CYP1A2 (0.33) | CYP2A6CYP1A2TDP1TP53ALOX15 | |
| SCHEMBL3843168 | 0.68 | CYP2A6 (0.39) | CYP2A6CYP1A2TDP1ACHETP53 | |
| SCHEMBL1003862 | 0.68 | ALDH1A1 (0.46) | CYP2A6ALDH1A1MAOAMAOBKDM4E | |
| SCHEMBL5962213 | 0.68 | CYP2A6 (0.39) | CYP2A6CYP1A2TDP1ACHETP53 | |
| P-Xylene SCHEMBL27930065 | 0.66 | ACHE (0.67) | CYP2A6CYP1A2TDP1ACHEALDH1A1 | |
| SCHEMBL3686045 | 0.65 | TDP1 (0.46) | CYP2A6CYP1A2TDP1ACHETP53 | |
| SCHEMBL188630 | 0.64 | TSHR (0.35) | CYP2A6CYP1A2CYP3A4SMN1; SMN2ALDH1A1 | |
| SCHEMBL4060179 | 0.64 | AR (0.42) | CYP2A6CYP1A2ALDH1A1MAOAMAOB | |
| SCHEMBL10899005 | 0.63 | — | — | |
| M-Xylene SCHEMBL28007889 | 0.63 | ACHE (0.75) | CYP1A2TDP1ACHETP53CYP3A4 |
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 |