Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | HTT | P42858 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | WDR5 | P61964 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL28891675 | 0.81 | CA2 (0.44) | ALDH1A1SMN1; SMN2KMT2AHTTMEN1 | |
| SCHEMBL29436012 | 0.76 | CA2 (0.50) | ALDH1A1SMN1; SMN2KMT2AMEN1HPGD | |
| SCHEMBL179467 | 0.76 | CA2 (0.50) | ALDH1A1SMN1; SMN2KMT2AMEN1HPGD | |
| SCHEMBL420149 | 0.75 | ALDH1A1 (0.59) | ALDH1A1KMT2AMEN1HPGDALOX15 | |
| SCHEMBL30135395 | 0.75 | ALDH1A1 (0.59) | ALDH1A1KMT2AMEN1HPGDALOX15 | |
| SCHEMBL3207839 | 0.74 | MEN1 (0.46) | ALDH1A1SMN1; SMN2KMT2AHTTMEN1 | |
| SCHEMBL2051020 | 0.74 | ALDH1A1 (0.45) | ALDH1A1SMN1; SMN2KMT2AHTTMEN1 | |
| SCHEMBL195044 | 0.74 | KDM4E (0.53) | ALDH1A1SMN1; SMN2KMT2AHTTHPGD | |
| SCHEMBL8228846 | 0.73 | NFE2L2 (0.42) | SMN1; SMN2KMT2AHTTMEN1CA1 | |
| SCHEMBL19936997 | 0.73 | MEN1 (0.45) | ALDH1A1KMT2AMEN1HPGDWDR5 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2917181-B1 | HETEROARYL DERIVATIVES AND USES THEREOF | JACOBUS PHARMACEUTICAL COMPANY INC (US) | 2019-09-25 | — | — | EP | disclosed |