Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIP4K2A | P48426 | 1/20 | 0.57 |
| ▸ | SCN10A | Q9Y5Y9 | 1/20 | 0.48 |
| ▸ | PRMT6 | Q96LA8 | 1/20 | 0.48 |
| ▸ | ABL1 | P00519 | 5/20 | 0.45 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.43 |
| ▸ | AURKA | O14965 | 1/20 | 0.40 |
| ▸ | TPX2 | Q9ULW0 | 1/20 | 0.40 |
| ▸ | SCN5A | Q14524 | 4/20 | 0.40 |
| ▸ | KIF11 | P52732 | 1/20 | 0.40 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.40 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.40 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.39 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.39 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.39 |
| ▸ | WDR77 | Q9BQA1 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL1230329 | 0.91 | PIP4K2A (0.51) | PIP4K2ASCN10APRMT6ABL1CA12 | |
| SCHEMBL28104718 | 0.88 | PIP4K2A (0.46) | PIP4K2ASCN10APRMT6ABL1CA12 | |
| SCHEMBL28840211 | 0.88 | PIP4K2A (0.46) | PIP4K2ASCN10APRMT6ABL1CA12 | |
| SCHEMBL29066294 | 0.84 | CYP11B1 (0.50) | PIP4K2ASCN10AABL1OPRM1KCNH2 | |
| SCHEMBL29597243 | 0.84 | CYP11B1 (0.50) | PIP4K2ASCN10AABL1OPRM1KCNH2 | |
| SCHEMBL505301 | 0.80 | DRD1 (0.56) | CA12CA9AURKATPX2SCN5A | |
| SCHEMBL29066290 | 0.80 | PIP4K2B (0.54) | PIP4K2ACA12CA9KIF11CYP11B1 | |
| SCHEMBL18002361 | 0.80 | AURKA (0.47) | PIP4K2ACA12CA9AURKATPX2 | |
| SCHEMBL2318682 | 0.80 | MAP4K4 (0.55) | CYP11B1CYP11B2 | |
| SCHEMBL4035311 | 0.78 | TRIM24 (0.51) | PIP4K2AABL1CA12CA9AURKA |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104334529-B | Compounds and compositions for inhibiting the activity of ABL1, ABL2, and BCR-ABL1 | 诺华股份有限公司 | 2017-03-15 | — | — | CN | disclosed |
| CN-104379574-B | For suppressing the heterocyclic carbamate derivatives of the activity of ABL1, ABL2 and BCR ABL1 | 诺华股份有限公司 | 2017-03-01 | — | — | CN | disclosed |
| CN-104302634-B | Benzamide derivatives for inhibiting the activity of ABL1, ABL2 and BCR-ABL1 | 诺华股份有限公司 | 2017-02-08 | — | — | CN | disclosed |
| WO-2012069856-A1 | ANTIMALARIAL COMPOUNDS | LIVERPOOL SCHOOL OF TROPICAL MEDICINE (GB) | 2012-05-31 | — | — | WO | disclosed |