Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.48 |
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | MARS2 | Q96GW9 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 4/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | ASAH2 | Q9NR71 | 1/20 | 0.46 |
| ▸ | RPLP1 | P05386 | 1/20 | 0.44 |
| ▸ | RPLP0 | P05388 | 1/20 | 0.44 |
| ▸ | RPS17 | P08708 | 1/20 | 0.44 |
| ▸ | RPSA | P08865 | 1/20 | 0.44 |
| ▸ | RPS2 | P15880 | 1/20 | 0.44 |
| ▸ | RPL35A | P18077 | 1/20 | 0.44 |
| ▸ | RPL7 | P18124 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL10655753 | 0.86 | ALDH1A1 (0.55) | ALDH1A1KDM4ENPC1CYP3A4LMNA | |
| SCHEMBL9969544 | 0.86 | ALDH1A1 (0.55) | ALDH1A1KDM4ENPC1CYP3A4LMNA | |
| SCHEMBL19938073 | 0.85 | ALDH1A1 (0.51) | ALDH1A1KDM4ENPC1CYP3A4LMNA | |
| SCHEMBL10393558 | 0.83 | ALDH1A1 (0.53) | ALDH1A1KDM4ENPC1CYP3A4LMNA | |
| SCHEMBL16906252 | 0.82 | ALDH1A1 (0.47) | ALDH1A1KDM4ENPC1CYP3A4LMNA | |
| SCHEMBL14033431 | 0.82 | ALDH1A1 (0.49) | ALDH1A1KDM4ENPC1CYP3A4LMNA | |
| SCHEMBL12159675 | 0.82 | ALDH1A1 (0.56) | ALDH1A1KDM4ENPC1CYP3A4LMNA | |
| SCHEMBL22577634 | 0.81 | ALDH1A1 (0.51) | ALDH1A1KDM4ENPC1CYP3A4LMNA | |
| SCHEMBL3920418 | 0.80 | ALDH1A1 (0.68) | ALDH1A1KDM4ENPC1CYP3A4LMNA | |
| SCHEMBL3920417 | 0.80 | ALDH1A1 (0.68) | ALDH1A1KDM4ENPC1CYP3A4LMNA |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7439400-B2 | Amino alcohol ligand and its use in preparation of chiral proparglic tertiary alcohols and tertiary amines via enantioselective addition reaction | SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) | 2008-10-21 | — | — | US | disclosed |