Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.43 |
| ▸ | TXNRD1 | Q16881 | 1/20 | 0.43 |
| ▸ | TXNRD3 | Q86VQ6 | 1/20 | 0.43 |
| ▸ | TXNRD2 | Q9NNW7 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | HPD | P32754 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 4/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL27825388 | 0.79 | ALDH1A1 (0.48) | ALDH1A1TDP1CYP3A4TSHRHPGD | |
| SCHEMBL27933668 | 0.77 | ALDH1A1 (0.45) | ALDH1A1MAPK1L3MBTL1MAPTGAA | |
| SCHEMBL27804767 | 0.72 | MET (0.61) | METKCNH2 | |
| SCHEMBL27825461 | 0.71 | POLB (0.56) | ALDH1A1TDP1CYP3A4TSHRHPGD | |
| SCHEMBL5766462 | 0.69 | ALDH1A1 (0.44) | ALDH1A1TDP1CYP3A4TSHRHPGD | |
| SCHEMBL26245033 | 0.68 | CTSB (0.55) | ALDH1A1TDP1MAPK1KDM4EMAPT | |
| SCHEMBL12709581 | 0.67 | PDE7A (0.43) | ALDH1A1TSHRHPGDMAPK1L3MBTL1 | |
| SCHEMBL1625709 | 0.67 | MAPT (0.44) | ALDH1A1TSHRHPGDMAPK1L3MBTL1 | |
| SCHEMBL15542277 | 0.67 | ALDH1A1 (0.51) | ALDH1A1TDP1CYP3A4TSHRHPGD | |
| SCHEMBL5504097 | 0.67 | ALDH1A1 (0.43) | ALDH1A1TDP1CYP3A4TSHRHPGD |
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 |
|---|---|---|---|---|---|---|---|
| CN-103508930-B | Two (aminodithioformic acid)-1,3-propylene diester compounds and synthetic method, pharmaceutical composition and purposes | PEKING UNIVERSITY (CN) | 2016-01-27 | — | — | CN | disclosed |
| CN-103508930-A | Bis(aminodithioformate)-1,3-propane diester compound, and synthesis method, pharmaceutical composition and use thereof | UNIV BEIJING | 2014-01-15 | — | — | CN | disclosed |