Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SHBG | P04278 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.37 |
| ▸ | 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 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.37 |
| ▸ | AR | P10275 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 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 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | CASP1 | P29466 | 1/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.37 |
| ▸ | OPRM1 | P35372 | 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 | |
|---|---|---|---|---|
| SCHEMBL9303891 | 0.88 | SCN10A (0.43) | SHBGCYP3A4SMN1; SMN2KCNH2MEN1 | |
| SCHEMBL5015652 | 0.82 | SCN10A (0.45) | KCNH2SCN10AHDAC6 | |
| SCHEMBL9304989 | 0.82 | SHBG (0.39) | SHBGCYP3A4SMN1; SMN2KCNH2MEN1 | |
| SCHEMBL6031395 | 0.80 | MAPT (0.36) | KCNH2MEN1ARMAPTKMT2A | |
| SCHEMBL666767 | 0.76 | NPBWR1 (0.43) | KCNH2 | |
| SCHEMBL1073023 | 0.72 | SHBG (0.41) | SHBGCYP3A4SMN1; SMN2KCNH2MEN1 | |
| SCHEMBL28181660 | 0.72 | KIF11 (0.53) | SHBGCYP3A4SMN1; SMN2KCNH2MEN1 | |
| SCHEMBL9304978 | 0.70 | SCN10A (0.43) | SHBGCYP3A4KCNH2MAPTCYP2D6 | |
| SCHEMBL3490546 | 0.70 | KMT2A (0.44) | MEN1USP2MAPTKMT2ANPC1 | |
| SCHEMBL5787022 | 0.70 | NOS1 (0.41) | MAPTNPC1RAB9AGAAHTT |
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 |
| US-5152929-A | Corrosion inhibitors for water systems | CIBA-GEIGY CORPORATION (US) | 1992-10-06 | — | — | US | disclosed |