Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCN10A | Q9Y5Y9 | 10/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | SHBG | P04278 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | METAP2 | P50579 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | USP2 | O75604 | 1/20 | 0.37 |
| ▸ | ESR1 | P03372 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | PGR | P06401 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.37 |
| ▸ | AR | P10275 | 1/20 | 0.37 |
| ▸ | DRD1 | P21728 | 1/20 | 0.37 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.37 |
| ▸ | PDE4A | P27815 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL9303902 | 0.88 | SHBG (0.39) | SCN10AKCNH2MAPTGAASHBG | |
| SCHEMBL2418844 | 0.82 | SCN10A (0.61) | SCN10AKCNH2METAP2TRPV1PDE10A | |
| SCHEMBL9304978 | 0.82 | SCN10A (0.43) | SCN10AKCNH2MAPTGAAHSD17B10 | |
| SCHEMBL1128905 | 0.80 | GAA (0.50) | SCN10AKCNH2MAPTGAAHSD17B10 | |
| SCHEMBL1311258 | 0.76 | NPBWR1 (0.58) | SCN10AKCNH2NPBWR1 | |
| SCHEMBL20348683 | 0.72 | KIF11 (0.53) | KCNH2MAPTSHBGMEN1USP2 | |
| SCHEMBL9304400 | 0.70 | KMT2A (0.49) | KCNH2MAPTGAASHBGALDH1A1 | |
| SCHEMBL9308324 | 0.70 | SHBG (0.39) | KCNH2MAPTSHBGMEN1USP2 | |
| SCHEMBL9304989 | 0.70 | SHBG (0.39) | SCN10AKCNH2MAPTSHBGMEN1 | |
| SCHEMBL3788210 | 0.70 | MAPT (0.46) | MAPTGAAHSD17B10ALDH1A1MEN1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5347008-A | Thio(cyclo) alkanepolycarboxylic acids containing heterocyclic substituents | CIBA-GEIGY CORPORATION (US) | 1994-09-13 | — | — | US | disclosed |
| US-5152929-A | Corrosion inhibitors for water systems | CIBA-GEIGY CORPORATION (US) | 1992-10-06 | — | — | US | disclosed |
| EP-0129506-A2 | Heterocyclically substituted thio(cyclo)alkane polycarboxylic acids | CIBA-GEIGY AG (CH) | 1984-12-27 | — | — | EP | disclosed |