Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABL1 | P00519 | 3/20 | 0.36 |
| ▸ | BCR | P11274 | 2/20 | 0.36 |
| ▸ | F2RL3 | Q96RI0 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | CACNA1G | O43497 | 1/20 | 0.34 |
| ▸ | CACNA1H | O95180 | 1/20 | 0.34 |
| ▸ | CACNA1I | Q9P0X4 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.34 |
| ▸ | TP53 | P04637 | 2/20 | 0.33 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.31 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.31 |
| ▸ | PPARA | Q07869 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | RECQL | P46063 | 1/20 | 0.31 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.31 |
| ▸ | AADAT | Q8N5Z0 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL16374017 | 0.80 | ABL1 (0.46) | ABL1BCRCYP3A4CYP2C9TP53 | |
| SCHEMBL29699885 | 0.70 | TP53 (0.52) | ABL1KCNH2CACNA1GCACNA1HCACNA1I | |
| SCHEMBL29699941 | 0.69 | TP53 (0.47) | ABL1KCNH2CACNA1GCACNA1HCACNA1I | |
| SCHEMBL3400748 | 0.69 | ABL1 (0.73) | ABL1BCR | |
| SCHEMBL29699853 | 0.68 | TP53 (0.50) | ABL1KCNH2CACNA1GCACNA1HCACNA1I | |
| SCHEMBL29699842 | 0.64 | CYP3A4 (0.65) | ABL1KCNH2CYP3A4CYP2C9TP53 | |
| SCHEMBL15504901 | 0.64 | SMN1; SMN2 (0.52) | ABL1KCNH2CYP3A4CYP2C9TP53 | |
| SCHEMBL30370406 | 0.62 | SLC6A4 (0.46) | — | |
| SCHEMBL15504917 | 0.61 | MAPT (0.65) | ABL1KCNH2CYP2C9TP53SMN1; SMN2 | |
| SCHEMBL13070020 | 0.61 | MBTD1 (0.51) | ABL1KCNH2SMN1; SMN2ALDH1A1BACE1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3912973-A2 | SMALL MOLECULE MYRISTATE INHIBITORS OF BCR-ABL AND METHODS OF USE | Dana-Farber Cancer Institute, Inc. (US) | 2021-11-24 | — | — | EP | disclosed |
| EP-3536687-A1 | SMALL MOLECULE MYRISTATE INHIBITORS OF BCR-ABL AND METHODS OF USE | Dana Farber Cancer Institute, Inc. (US) | 2019-09-11 | — | — | EP | disclosed |
| EP-3150593-A1 | SMALL MOLECULE MYRISTATE INHIBITORS OF BCR-ABL AND METHODS OF USE | Dana Farber Cancer Institute, Inc. (US) | 2017-04-05 | — | — | EP | disclosed |