Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SHBG | P04278 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
| ▸ | CSNK1D | P48730 | 1/20 | 0.33 |
| ▸ | CSNK1G2 | P78368 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.33 |
| ▸ | USP2 | O75604 | 2/20 | 0.32 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | ESR1 | P03372 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | PGR | P06401 | 1/20 | 0.32 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.32 |
| ▸ | AR | P10275 | 1/20 | 0.32 |
| ▸ | DRD1 | P21728 | 1/20 | 0.32 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9308324 | 0.82 | SHBG (0.39) | SHBGMAPTKDM4ECYP3A4CYP2D6 | |
| SCHEMBL31208302 | 0.76 | BACE1 (0.42) | KDM4ESMN1; SMN2KCNH2 | |
| SCHEMBL18755165 | 0.76 | BACE1 (0.42) | KDM4ESMN1; SMN2KCNH2 | |
| SCHEMBL9305789 | 0.73 | MAPT (0.35) | SHBGMAPTHDAC6TP53 | |
| SCHEMBL9305794 | 0.71 | HDAC4 (0.33) | SHBGMAPTCYP3A4CYP2D6HIF1A | |
| SCHEMBL18174921 | 0.70 | SMN1; SMN2 (0.43) | MAPTKDM4ECYP3A4CYP2D6SMN1; SMN2 | |
| SCHEMBL23743981 | 0.70 | SMN1; SMN2 (0.41) | MAPTKDM4ECSNK1DCSNK1G2SMN1; SMN2 | |
| SCHEMBL9304978 | 0.70 | SCN10A (0.43) | SHBGMAPTCYP3A4CYP2D6CSNK1D | |
| SCHEMBL9304946 | 0.70 | CSNK1D (0.40) | SHBGMAPTCYP3A4CYP2D6HIF1A | |
| SCHEMBL2538594 | 0.70 | KDM4E (0.59) | MAPTKDM4ECYP3A4CYP2D6SMN1; SMN2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5347008-A | Thio(cyclo) alkanepolycarboxylic acids containing heterocyclic substituents | CIBA-GEIGY CORPORATION (US) | 1994-09-13 | — | — | US | disclosed |
| EP-0129506-A2 | Heterocyclically substituted thio(cyclo)alkane polycarboxylic acids | CIBA-GEIGY AG (CH) | 1984-12-27 | — | — | EP | disclosed |