Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.33 |
| ▸ | DAO | P14920 | 3/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | SSTR1 | P30872 | 1/20 | 0.32 |
| ▸ | SSTR4 | P31391 | 1/20 | 0.32 |
| ▸ | PARP1 | P09874 | 1/20 | 0.32 |
| ▸ | HTR2C | P28335 | 1/20 | 0.32 |
| ▸ | HTR2B | P41595 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL17398643 | 0.77 | SLC6A4 (0.34) | CYP2C9CYP2C19MAPTCYP1A2GAA | |
| SCHEMBL23956497 | 0.77 | SLC6A4 (0.34) | CYP2C9CYP2C19MAPTCYP1A2GAA | |
| SCHEMBL17428968 | 0.70 | SLC6A4 (0.40) | CYP1A2ALDH1A1 | |
| SCHEMBL29991727 | 0.68 | PNMT (0.41) | CYP2C9CYP2C19MAPTSMN1; SMN2KMT2A | |
| SCHEMBL17398331 | 0.68 | PNMT (0.41) | CYP2C9CYP2C19MAPTSMN1; SMN2KMT2A | |
| SCHEMBL17398398 | 0.68 | SLC6A4 (0.35) | SMN1; SMN2CYP1A2KMT2AMEN1ALDH1A1 | |
| SCHEMBL17398407 | 0.66 | SLC6A3 (0.34) | ALDH1A1 | |
| SCHEMBL17398272 | 0.66 | SLC6A3 (0.34) | ALDH1A1 | |
| SCHEMBL17398269 | 0.66 | SLC6A3 (0.34) | ALDH1A1 | |
| SCHEMBL1815990 | 0.65 | SLC6A2 (0.46) | CYP2C9CYP2C19MAPTSSTR1SSTR4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3164130-A1 | HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF SUMO ACTIVATING ENZYME | Millennium Pharmaceuticals, Inc. (US) | 2017-05-10 | — | — | EP | disclosed |
| WO-2016004136-A1 | HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF SUMO ACTIVATING ENZYME | DUFFEY MATTHEW O (US) | 2016-01-07 | — | — | WO | disclosed |