Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B2 | P19099 | 1/20 | 0.44 |
| ▸ | HASPIN | Q8TF76 | 3/20 | 0.41 |
| ▸ | RET | P07949 | 3/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | GPR119 | Q8TDV5 | 5/20 | 0.38 |
| ▸ | ACACB | O00763 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | SCD5 | Q86SK9 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL627266 | 0.93 | CYP11B2 (0.41) | CYP11B2HASPINRETCYP3A4GPR119 | |
| SCHEMBL627264 | 0.90 | CKS1B (0.43) | GPR119LMNATHRBTSHR | |
| SCHEMBL627421 | 0.89 | RET (0.44) | CYP11B2RETCYP3A4ACACBCYP2D6 | |
| SCHEMBL12474119 | 0.83 | HASPIN (0.41) | HASPINCYP3A4LMNATHRB | |
| SCHEMBL625491 | 0.81 | NAMPT (0.41) | GPR119ACACB | |
| SCHEMBL627206 | 0.81 | USP30 (0.42) | GPR119LMNATHRB | |
| SCHEMBL628407 | 0.79 | CYP11B2 (0.44) | CYP11B2RETCYP3A4GPR119ACACB | |
| SCHEMBL23244988 | 0.78 | KCNH2 (0.41) | HASPINLMNATHRBCYP2C19 | |
| SCHEMBL23268233 | 0.78 | HASPIN (0.41) | HASPINLMNATHRB | |
| SCHEMBL627512 | 0.78 | CKS1B (0.36) | GPR119LMNATHRBTSHR |
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 |
|---|---|---|---|---|---|---|---|
| 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 |