Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.36 |
| ▸ | POLB | P06746 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 4/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | CNR2 | P34972 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | CXCR4 | P61073 | 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 | |
|---|---|---|---|---|
| SCHEMBL27266272 | 0.92 | ALDH1A1 (0.40) | TSHRCYP3A4CYP2C9CYP2C19HPGD | |
| SCHEMBL9435372 | 0.90 | ALDH1A1 (0.38) | CYP3A4CYP2C9CYP2C19HPGDALDH1A1 | |
| SCHEMBL27885327 | 0.86 | ALDH1A1 (0.33) | HPGDALDH1A1SMN1; SMN2POLBNPSR1 | |
| SCHEMBL27735180 | 0.75 | SIGMAR1 (0.41) | TSHRALDH1A1POLBKMT2A | |
| SCHEMBL5774548 | 0.75 | ALDH1A1 (0.43) | TSHRCYP2C9CYP2C19ALDH1A1SMN1; SMN2 | |
| SCHEMBL7465154 | 0.72 | CHRM1 (0.38) | TSHRHTTKMT2A | |
| SCHEMBL473405 | 0.67 | ALDH1A1 (0.40) | CYP3A4CYP2C9CYP2C19HPGDALDH1A1 | |
| SCHEMBL28205818 | 0.67 | ALDH1A1 (0.44) | TSHRHPGDALDH1A1SMN1; SMN2POLB | |
| SCHEMBL1933552 | 0.67 | ALDH1A1 (0.42) | CYP3A4CYP2C9CYP2C19HPGDALDH1A1 | |
| SCHEMBL8115122 | 0.66 | CNR2 (0.46) | ALDH1A1LMNAMAPTCNR2HTT |
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-109651208-A | N- arylsulfonamides compound, medical composition and its use | 中国科学院上海药物研究所 | 2019-04-19 | — | — | CN | disclosed |