Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.68 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.68 |
| ▸ | MAPT | P10636 | 4/20 | 0.68 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.68 |
| ▸ | HPGD | P15428 | 3/20 | 0.68 |
| ▸ | MEN1 | O00255 | 1/20 | 0.68 |
| ▸ | GLA | P06280 | 1/20 | 0.68 |
| ▸ | PPARG | P37231 | 1/20 | 0.68 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.68 |
| ▸ | NCOA2 | Q15596 | 1/20 | 0.68 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.68 |
| ▸ | NPC1 | O15118 | 4/20 | 0.63 |
| ▸ | RAB9A | P51151 | 4/20 | 0.63 |
| ▸ | MAOB | P27338 | 6/20 | 0.58 |
| ▸ | MAOA | P21397 | 6/20 | 0.58 |
| ▸ | F12 | P00748 | 1/20 | 0.58 |
| ▸ | TP53 | P04637 | 1/20 | 0.57 |
| ▸ | GAA | P10253 | 2/20 | 0.56 |
| ▸ | DEGS1 | O15121 | 1/20 | 0.55 |
| ▸ | ESR1 | P03372 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL12010984 | 0.86 | MAOB (0.63) | ALDH1A1SMN1; SMN2MAPTKDM4EHPGD | |
| SCHEMBL14880142 | 0.83 | ALDH1A1 (0.69) | ALDH1A1SMN1; SMN2MAPTKDM4EHPGD | |
| SCHEMBL13757025 | 0.80 | ALDH1A1 (0.75) | ALDH1A1SMN1; SMN2MAPTKDM4EHPGD | |
| SCHEMBL14880532 | 0.80 | MAOB (0.67) | ALDH1A1SMN1; SMN2MAPTKDM4EHPGD | |
| SCHEMBL14880116 | 0.80 | KDM4E (0.70) | ALDH1A1SMN1; SMN2MAPTKDM4EHPGD | |
| SCHEMBL26889396 | 0.79 | DEGS1 (0.79) | ALDH1A1SMN1; SMN2HPGDMEN1KMT2A | |
| SCHEMBL14880288 | 0.79 | MAPT (0.62) | ALDH1A1SMN1; SMN2MAPTKDM4EHPGD | |
| SCHEMBL11462954 | 0.78 | MAOB (0.91) | NPC1RAB9AMAOBMAOAF12 | |
| SCHEMBL14880204 | 0.77 | ALDH1A1 (0.66) | ALDH1A1SMN1; SMN2MAPTKDM4EHPGD | |
| SCHEMBL17318559 | 0.76 | POLB (0.74) | ALDH1A1SMN1; SMN2MAPTKDM4EHPGD |
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-2013059582-A2 | SMALL MOLECULE INHIBITORS OF HISTONE DEACTEYLASES | NUPOTENTIAL, INC. (US) | 2013-04-25 | — | — | WO | disclosed |