Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 5/20 | 0.44 |
| ▸ | CA2 | P00918 | 5/20 | 0.44 |
| ▸ | USP2 | O75604 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | GLA | P06280 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL1999900 | 0.95 | ALDH1A1 (0.48) | ALDH1A1MEN1KMT2ASMN1; SMN2CYP1A2 | |
| SCHEMBL3160634 | 0.80 | CA1 (0.45) | ALDH1A1MEN1KMT2ASMN1; SMN2CYP1A2 | |
| SCHEMBL29123845 | 0.77 | TDP1 (0.50) | ALDH1A1MEN1KMT2ASMN1; SMN2CYP1A2 | |
| SCHEMBL3959646 | 0.75 | CA1 (0.58) | ALDH1A1MEN1KMT2ASMN1; SMN2CYP1A2 | |
| SCHEMBL4597216 | 0.75 | NQO2 (0.60) | MEN1KMT2ACA1CA2TDP1 | |
| SCHEMBL21601421 | 0.74 | L3MBTL1 (0.61) | ALDH1A1SMN1; SMN2CYP2D6CYP2C19CA1 | |
| SCHEMBL27698153 | 0.74 | ALDH1A1 (0.53) | ALDH1A1MEN1KMT2ASMN1; SMN2CYP1A2 | |
| SCHEMBL27437838 | 0.73 | TDP1 (0.62) | MEN1KMT2ACA1CA2TDP1 | |
| SCHEMBL10792928 | 0.73 | SMN1; SMN2 (0.59) | ALDH1A1MEN1KMT2ASMN1; SMN2HSD17B10 | |
| SCHEMBL637737 | 0.73 | GAA (0.52) | ALDH1A1KMT2ACA1CA2TDP1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1838687-A1 | NON-ANILINIC DERIVATIVES OF ISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDES AS LIVER X RECEPTOR MODULATORS | AstraZeneca AB (SE) | 2007-10-03 | — | — | EP | disclosed |
| WO-2006073366-A1 | NON-ANILINIC DERIVATIVES OF ISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDES AS LIVER X RECEPTOR MODULATORS | ASTRAZENECA AB (SE) | 2006-07-13 | — | — | WO | disclosed |