Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 2/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.34 |
| ▸ | ACLY | P53396 | 3/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA7 | P43166 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.33 |
| ▸ | F2 | P00734 | 1/20 | 0.33 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.33 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL572902 | 0.86 | KDM4E (0.38) | SMN1; SMN2CYP1A2TSHRCYP2C19ALDH1A1 | |
| SCHEMBL572903 | 0.86 | KDM4E (0.38) | SMN1; SMN2CYP1A2TSHRCYP2C19ALDH1A1 | |
| SCHEMBL573293 | 0.83 | VCAM1 (0.47) | SMN1; SMN2CYP1A2TSHRCYP2C19ALDH1A1 | |
| SCHEMBL573292 | 0.83 | VCAM1 (0.47) | SMN1; SMN2CYP1A2TSHRCYP2C19ALDH1A1 | |
| SCHEMBL11542934 | 0.81 | SMN1; SMN2 (0.56) | SMN1; SMN2CYP1A2TSHRCYP2C19ALDH1A1 | |
| SCHEMBL573829 | 0.80 | RAB9A (0.36) | SMN1; SMN2TSHRALDH1A1HPGDLMNA | |
| SCHEMBL573830 | 0.80 | RAB9A (0.36) | SMN1; SMN2TSHRALDH1A1HPGDLMNA | |
| SCHEMBL10222902 | 0.80 | RAB9A (0.36) | SMN1; SMN2TSHRALDH1A1HPGDLMNA | |
| SCHEMBL574330 | 0.79 | LMNA (0.39) | SMN1; SMN2CYP1A2TSHRCYP2C19ALDH1A1 | |
| SCHEMBL574329 | 0.79 | LMNA (0.39) | SMN1; SMN2CYP1A2TSHRCYP2C19ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012018635-A2 | ARYLSULFONAMIDE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE | NEUROTHERAPEUTICS PHARMA, INC. (US) | 2012-02-09 | — | — | WO | disclosed |