Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.53 |
| ▸ | MEN1 | O00255 | 2/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 3/20 | 0.50 |
| ▸ | HPGD | P15428 | 3/20 | 0.50 |
| ▸ | GAA | P10253 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | GLA | P06280 | 1/20 | 0.50 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL637737 | 0.80 | GAA (0.52) | ALDH1A1KMT2AMAPTHPGDGAA | |
| SCHEMBL15082525 | 0.79 | ALDH1A1 (0.52) | ALDH1A1MEN1KMT2ACYP1A2CYP2D6 | |
| SCHEMBL27437838 | 0.77 | TDP1 (0.62) | MEN1KMT2AGAATDP1CA1 | |
| SCHEMBL1999900 | 0.77 | ALDH1A1 (0.48) | ALDH1A1MEN1KMT2ACYP1A2CYP2D6 | |
| SCHEMBL10329432 | 0.77 | CA1 (0.54) | ALDH1A1MEN1KMT2ACYP1A2SMN1; SMN2 | |
| SCHEMBL29123845 | 0.76 | TDP1 (0.50) | ALDH1A1MEN1KMT2ACYP1A2CYP2D6 | |
| SCHEMBL23477276 | 0.76 | TDP1 (0.61) | ALDH1A1MEN1KMT2ACYP1A2CYP2D6 | |
| SCHEMBL3422201 | 0.76 | TDP1 (0.61) | MEN1KMT2AGAATDP1TSHR | |
| SCHEMBL7828240 | 0.75 | ALDH1A1 (0.53) | ALDH1A1MEN1KMT2ACYP1A2CYP2D6 | |
| SCHEMBL572949 | 0.75 | TDP1 (0.56) | ALDH1A1MEN1KMT2ACYP1A2CYP2D6 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101137628-A | Non-anilinic derivatives of isothiazol-3(2h)-one 1,1-dioxides as liver x receptor modulators | ASTRAZENECA AB (SE) | 2008-03-05 | — | — | CN | disclosed |