Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AURKA | O14965 | 1/20 | 0.55 |
| ▸ | TTK | P33981 | 1/20 | 0.55 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.55 |
| ▸ | INCENP | Q9NQS7 | 1/20 | 0.55 |
| ▸ | CA12 | O43570 | 7/20 | 0.47 |
| ▸ | CA1 | P00915 | 7/20 | 0.47 |
| ▸ | CA2 | P00918 | 7/20 | 0.47 |
| ▸ | CA9 | Q16790 | 7/20 | 0.47 |
| ▸ | TP53 | P04637 | 2/20 | 0.46 |
| ▸ | F2RL3 | Q96RI0 | 9/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | CASP1 | P29466 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL453667 | 0.81 | MAPT (0.43) | AURKATTKAURKBINCENPCA12 | |
| SCHEMBL460239 | 0.79 | AURKA (0.59) | AURKATTKAURKBINCENPMAPT | |
| SCHEMBL452519 | 0.75 | PIK3CA (0.59) | — | |
| SCHEMBL2684595 | 0.73 | AURKA (1.00) | AURKATTKAURKBINCENPMAPT | |
| SCHEMBL453666 | 0.69 | MAPT (0.45) | AURKATTKAURKBINCENPMAPT | |
| SCHEMBL2123352 | 0.69 | PIK3CA (0.70) | CA12CA1CA2CA9F2RL3 | |
| SCHEMBL532339 | 0.68 | PIK3CA (0.70) | CA12CA1CA2CA9TP53 | |
| SCHEMBL532634 | 0.67 | KDM4E (0.62) | CA12CA1CA2CA9TP53 | |
| SCHEMBL2123324 | 0.67 | PIK3CA (0.70) | CA12CA1CA2CA9TP53 | |
| SCHEMBL532292 | 0.67 | PIK3CA (0.46) | TP53F2RL3MAPTMEN1NPC1 |
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-2011121317-A9 | IMIDAZOTHIADIAZOLES FOR USE AS KINASE INHIBITORS | CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS (CNIO) (ES) | 2012-03-15 | — | — | WO | disclosed |
| WO-2011121317-A1 | IMIDAZO [2,1-B] [1,3,4] THIADIAZOLES AS PROTEIN OR LIPID KINASE INHIBITORS | CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS (CNIO) (ES) | 2011-10-06 | — | — | WO | disclosed |