Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NAMPT | P43490 | 7/20 | 0.39 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.39 |
| ▸ | CDK2 | P24941 | 1/20 | 0.39 |
| ▸ | GPR119 | Q8TDV5 | 3/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | EHMT2 | Q96KQ7 | 1/20 | 0.37 |
| ▸ | ACACB | O00763 | 2/20 | 0.37 |
| ▸ | ACKR3 | P25106 | 2/20 | 0.37 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.35 |
| ▸ | IDH1 | O75874 | 1/20 | 0.35 |
| ▸ | IDH2 | P48735 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL627884 | 0.87 | CCNA2 (0.50) | CCNA2CDK2GPR119ACKR3IDH1 | |
| SCHEMBL627341 | 0.86 | NAMPT (0.47) | NAMPTGPR119CYP2C9ACKR3 | |
| SCHEMBL628407 | 0.81 | CYP11B2 (0.44) | NAMPTGPR119ACACB | |
| SCHEMBL625491 | 0.81 | NAMPT (0.41) | NAMPTCCNA2CDK2GPR119CYP2C9 | |
| SCHEMBL627267 | 0.81 | CYP11B2 (0.41) | ACACB | |
| SCHEMBL623829 | 0.80 | F2RL3 (0.48) | NAMPTGPR119IDH1IDH2 | |
| SCHEMBL625408 | 0.78 | MAP4K1 (0.39) | NAMPTCCNA2CDK2 | |
| SCHEMBL625496 | 0.78 | PIM1 (0.39) | IDH1IDH2ALDH1A1 | |
| SCHEMBL627422 | 0.78 | RET (0.42) | CYP2C9ACACBALDH1A1 | |
| SCHEMBL627265 | 0.78 | CKS1B (0.41) | GPR119ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012020217-A1 | AMINO- IMIDAZOLOTHIADIAZOLES FOR USE AS PROTEIN OR LIPID KINASE INHIBITORS | CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS (CNIO) (ES) | 2012-02-16 | — | — | WO | disclosed |
| WO-2012020215-A1 | AMINO- IMIDAZOLOTHIADIAZOLES FOR USE AS PROTEIN OR LIPID KINASE INHIBITORS | CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS (CNIO) (ES) | 2012-02-16 | — | — | WO | disclosed |