Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | ATR | Q13535 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | LCK | P06239 | 4/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 2/20 | 0.33 |
| ▸ | GSK3B | P49841 | 1/20 | 0.33 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.33 |
| ▸ | RELA | Q04206 | 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 | |
|---|---|---|---|---|
| SCHEMBL24344483 | 0.85 | ALDH1A1 (0.39) | ALDH1A1ATRCA1CA2LCK | |
| SCHEMBL29082568 | 0.81 | ALDH1A1 (0.36) | ALDH1A1ATRCA1CA2LCK | |
| SCHEMBL26977835 | 0.80 | TDP1 (0.36) | ALDH1A1ATRCA1CA2CYP17A1 | |
| SCHEMBL26980542 | 0.79 | ALDH1A1 (0.35) | ALDH1A1ATRCA1CA2CYP17A1 | |
| SCHEMBL30558063 | 0.78 | ATR (0.45) | ALDH1A1ATRCA1CA2LCK | |
| SCHEMBL26977999 | 0.78 | CTSS (0.36) | ALDH1A1ATRCYP17A1GAAMEN1 | |
| SCHEMBL25366911 | 0.78 | ATR (0.45) | ALDH1A1ATRCA1CA2LCK | |
| SCHEMBL24343974 | 0.77 | CYP1A2 (0.62) | ALDH1A1ATRLCKCYP1A2GAA | |
| SCHEMBL30558053 | 0.76 | ATR (0.38) | ALDH1A1ATRCA1CA2LCK | |
| SCHEMBL30558057 | 0.76 | ATR (0.33) | ALDH1A1ATRCA1CA2CYP17A1 |
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-2022076975-A1 | 5- AND 6-AZAINDOLE COMPOUNDS FOR INHIBITION OF BCR-ABL TYROSINE KINASES | ENLIVEN THERAPEUTICS, INC. (US) | 2022-04-14 | — | — | WO | disclosed |