Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SUV39H1 | O43463 | 3/20 | 0.50 |
| ▸ | PRMT1 | Q99873 | 3/20 | 0.50 |
| ▸ | SMYD3 | Q9H7B4 | 2/20 | 0.50 |
| ▸ | RPS6KB1 | P23443 | 2/20 | 0.45 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.45 |
| ▸ | ABL1 | P00519 | 10/20 | 0.44 |
| ▸ | BCR | P11274 | 10/20 | 0.44 |
| ▸ | HTR2C | P28335 | 1/20 | 0.43 |
| ▸ | TTBK1 | Q5TCY1 | 1/20 | 0.41 |
| ▸ | TTBK2 | Q6IQ55 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | AURKA | O14965 | 1/20 | 0.40 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.40 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL3401934 | 0.91 | SUV39H1 (0.51) | SUV39H1PRMT1SMYD3ABL1BCR | |
| SCHEMBL3399470 | 0.82 | ABL1 (0.47) | RPS6KB1PDPK1ABL1BCRHTR2C | |
| SCHEMBL3399926 | 0.78 | HTR2C (0.46) | RPS6KB1PDPK1ABL1BCRHTR2C | |
| SCHEMBL3397381 | 0.77 | ABL1 (0.55) | ABL1BCRTTBK1TTBK2MEN1 | |
| SCHEMBL3396560 | 0.76 | ABL1 (0.62) | ABL1BCRTTBK1TTBK2 | |
| SCHEMBL3397889 | 0.76 | ABL1 (0.59) | SUV39H1PRMT1ABL1BCRTTBK1 | |
| SCHEMBL3399921 | 0.75 | ABL1 (0.60) | SUV39H1PRMT1SMYD3ABL1BCR | |
| SCHEMBL29533110 | 0.75 | ABL1 (0.60) | SUV39H1PRMT1SMYD3ABL1BCR | |
| SCHEMBL3396524 | 0.74 | ABL1 (0.49) | ABL1BCR | |
| SCHEMBL3400770 | 0.74 | ABL1 (0.56) | SUV39H1PRMT1ABL1BCRMEN1 |
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-2222162-A2 | SMALL MOLECULE MYRISTATE INHIBITORS OF BCR-ABL AND METHODS OF USE | Dana Farber Cancer Institute (US) | 2010-09-01 | — | — | EP | disclosed |
| WO-2009073153-A2 | SMALL MOLECULE MYRISTATE INHIBITORS OF BCR-ABL AND METHODS OF USE | DANA FARBER CANCER INSTITUTE (US) | 2009-06-11 | — | — | WO | disclosed |