Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.45 |
| ▸ | MEN1 | O00255 | 4/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.43 |
| ▸ | HTT | P42858 | 4/20 | 0.43 |
| ▸ | GALR3 | O60755 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 4/20 | 0.35 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | NPBWR1 | P48145 | 1/20 | 0.34 |
| ▸ | MET | P08581 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.33 |
| ▸ | AKR1C2 | P52895 | 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 | |
|---|---|---|---|---|
| SCHEMBL28049809 | 0.77 | ALDH1A1 (0.43) | ALDH1A1HTTL3MBTL1MAPK1LMNA | |
| SCHEMBL27964543 | 0.71 | POLB (0.45) | ALDH1A1MEN1KMT2AHTTSMN1; SMN2 | |
| SCHEMBL19107779 | 0.70 | KIF11 (0.41) | ALDH1A1MEN1KMT2AHTTSMN1; SMN2 | |
| SCHEMBL20569282 | 0.68 | ALDH1A1 (0.65) | ALDH1A1MEN1KMT2AHTTGALR3 | |
| SCHEMBL31053163 | 0.68 | ALDH1A1 (0.60) | ALDH1A1MEN1KMT2AHTTGALR3 | |
| SCHEMBL29455943 | 0.68 | ALDH1A1 (0.65) | ALDH1A1MEN1KMT2AHTTGALR3 | |
| SCHEMBL1278657 | 0.68 | ALDH1A1 (0.60) | ALDH1A1MEN1KMT2AHTTGALR3 | |
| SCHEMBL23521067 | 0.68 | MEN1 (0.44) | ALDH1A1MEN1KMT2AHTTGALR3 | |
| SCHEMBL29314171 | 0.68 | KMT2A (0.44) | ALDH1A1MEN1KMT2AHTTGALR3 | |
| SCHEMBL23520766 | 0.68 | MEN1 (0.44) | ALDH1A1MEN1KMT2AHTTGALR3 |
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 |