Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 4/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 7/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.40 |
| ▸ | HPGD | P15428 | 4/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | USP2 | O75604 | 3/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | THRB | P10828 | 2/20 | 0.38 |
| ▸ | EIF2AK4 | Q9P2K8 | 2/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | RXFP1 | Q9HBX9 | 3/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.35 |
| ▸ | HASPIN | Q8TF76 | 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 | |
|---|---|---|---|---|
| SCHEMBL627407 | 0.80 | CYP2D6 (0.41) | CYP1A2CYP2D6ALOX15ALDH1A1HSD17B10 | |
| SCHEMBL627421 | 0.78 | RET (0.44) | CYP1A2CYP2D6ALOX15ALDH1A1HSD17B10 | |
| SCHEMBL625702 | 0.77 | PIK3CA (0.50) | CYP1A2CYP2D6ALOX15EIF2AK4HASPIN | |
| SCHEMBL23268392 | 0.73 | KCNH2 (0.52) | CYP2C19CYP2C9LMNATHRBTP53 | |
| SCHEMBL627266 | 0.71 | CYP11B2 (0.41) | CYP2D6ALDH1A1HSD17B10CYP3A4HASPIN | |
| SCHEMBL23268328 | 0.70 | HASPIN (0.44) | LMNATHRBTP53RXFP1HASPIN | |
| SCHEMBL625703 | 0.70 | MAP3K12 (0.44) | EIF2AK4 | |
| SCHEMBL627087 | 0.69 | HASPIN (0.42) | LMNATHRBHASPIN | |
| SCHEMBL627209 | 0.69 | HASPIN (0.40) | LMNATHRBTP53RXFP1HASPIN | |
| SCHEMBL12474119 | 0.68 | HASPIN (0.41) | CYP3A4LMNATHRBTP53RXFP1 |
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-2012020215-A1 | AMINO- IMIDAZOLOTHIADIAZOLES FOR USE AS PROTEIN OR LIPID KINASE INHIBITORS | CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS (CNIO) (ES) | 2012-02-16 | — | — | WO | disclosed |