Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA1 | P30542 | 1/20 | 0.51 |
| ▸ | ABL1 | P00519 | 5/20 | 0.48 |
| ▸ | BCR | P11274 | 5/20 | 0.48 |
| ▸ | LMNA | P02545 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.46 |
| ▸ | GLA | P06280 | 1/20 | 0.46 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | NPY1R | P25929 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | NPY2R | P49146 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | SLC29A1 | Q99808 | 1/20 | 0.46 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL18696325 | 1.00 | ADORA1 (0.51) | ADORA1ABL1BCRLMNAALDH1A1 | |
| SCHEMBL13467412 | 0.88 | NR2F2 (0.55) | ABL1SMN1; SMN2NPC1RAB9ASLC29A1 | |
| SCHEMBL18696212 | 0.85 | ABL1 (0.57) | ABL1BCR | |
| SCHEMBL20925387 | 0.84 | ADORA1 (0.56) | ADORA1LMNAALDH1A1GLAPMP22 | |
| SCHEMBL3395259 | 0.80 | ADORA1 (0.78) | ADORA1LMNAALDH1A1MAPK1GLA | |
| SCHEMBL13820258 | 0.80 | ADORA1 (0.78) | ADORA1LMNAALDH1A1MAPK1GLA | |
| SCHEMBL24390241 | 0.80 | ADORA1 (0.78) | ADORA1LMNAALDH1A1MAPK1GLA | |
| SCHEMBL16609165 | 0.80 | ADORA1 (0.78) | ADORA1LMNAALDH1A1MAPK1GLA | |
| SCHEMBL23982207 | 0.79 | PRKAB2 (0.52) | ABL1LMNAALDH1A1MAPK1GLA | |
| SCHEMBL20419240 | 0.77 | ALDH1A1 (0.57) | ABL1LMNAALDH1A1MAPK1ALB |
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-3536687-B1 | SMALL MOLECULE MYRISTATE INHIBITORS OF BCR-ABL AND METHODS OF USE | DANA FARBER CANCER INST INC (US) | 2021-07-14 | — | — | EP | disclosed |