Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.52 |
| ▸ | CA12 | O43570 | 1/20 | 0.50 |
| ▸ | CA1 | P00915 | 1/20 | 0.50 |
| ▸ | CA2 | P00918 | 1/20 | 0.50 |
| ▸ | CA7 | P43166 | 1/20 | 0.50 |
| ▸ | CA9 | Q16790 | 1/20 | 0.50 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.50 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.47 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 4/20 | 0.44 |
| ▸ | MEN1 | O00255 | 4/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | THRB | P10828 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL30036752 | 1.00 | CYP2C19 (0.52) | CYP2C19CA12CA1CA2CA7 | |
| SCHEMBL14100627 | 0.81 | ALDH1A1 (0.43) | CYP2C19CA12CA1CA2CA7 | |
| SCHEMBL18908535 | 0.80 | MEN1 (0.48) | MEN1KMT2AALDH1A1TDP1KDM4E | |
| SCHEMBL83692 | 0.80 | MEN1 (0.48) | MEN1KMT2AALDH1A1TDP1KDM4E | |
| SCHEMBL20855753 | 0.80 | TP53 (0.43) | CYP2C19MEN1KMT2AALDH1A1KDM4E | |
| SCHEMBL18820312 | 0.80 | SLC6A2 (0.58) | — | |
| SCHEMBL20855751 | 0.80 | TP53 (0.43) | CYP2C19MEN1KMT2AALDH1A1KDM4E | |
| SCHEMBL1437913 | 0.76 | NPC1 (0.43) | MAPTALDH1A1TDP1CYP19A1 | |
| SCHEMBL2303718 | 0.76 | KDM4E (0.44) | MAPTALDH1A1CYP19A1KDM4EGAA | |
| SCHEMBL21874397 | 0.76 | HTR2A (0.44) | MAPT |
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 |
|---|---|---|---|---|---|---|---|
| CN-115246761-A | Preparation method of polysubstituted naphthalene derivative | 清华大学 | 2022-10-28 | — | — | CN | disclosed |
| EP-0493617-B1 | PROCESS FOR PRODUCING OPTICALLY ACTIVE (-)-2-HALO-1-(SUBSTITUTED PHENYL)ETHANOL | KANEGAFUCHI CHEMICAL IND (JP) | 1999-10-06 | — | — | EP | disclosed |
| US-5266485-A | Biosynthesis | KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) | 1993-11-30 | — | — | US | disclosed |
| EP-0493617-A1 | PROCESS FOR PRODUCING OPTICALLY ACTIVE (-)-2-HALO-1-(SUBSTITUTED PHENYL)ETHANOL AND (-)-SUBSTITUTED STYRENE OXIDE | KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) | 1992-07-08 | — | — | EP | disclosed |