Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TTK | P33981 | 8/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | AURKA | O14965 | 1/20 | 0.38 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.38 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL9942285 | 0.87 | TTK (0.49) | TTKTSHRALDH1A1HPGDATM | |
| SCHEMBL9940274 | 0.86 | TTK (0.55) | TTKTSHRALDH1A1HPGDKDM4E | |
| SCHEMBL9942725 | 0.86 | TTK (0.52) | TTK | |
| SCHEMBL9942240 | 0.85 | TTK (0.47) | TTKCHEK1MAPKAPK2 | |
| SCHEMBL9942209 | 0.85 | TTK (0.41) | TTK | |
| SCHEMBL9942174 | 0.84 | TTK (0.42) | TTKCHEK1MAPKAPK2 | |
| SCHEMBL9940707 | 0.83 | TTK (0.45) | TTKALDH1A1HPGDAURKARPS6KB1 | |
| SCHEMBL9942776 | 0.83 | TTK (0.43) | TTK | |
| SCHEMBL9940286 | 0.81 | TTK (0.53) | TTK | |
| SCHEMBL9940450 | 0.81 | TTK (0.69) | TTKTSHR |
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 |
|---|---|---|---|---|---|---|---|
| EP-2651950-A1 | 6 SUBSTITUTED IMIDAZOPYRAZINES FOR USE AS MPS-1 AND TKK INHIBITORS IN THE TREATMENT OF HYPERPROLIFERATIVE DISORDERS | Bayer Intellectual Property GmbH (DE) | 2013-10-23 | — | — | EP | claimed |
| WO-2012080230-A1 | 6 SUBSTITUTED IMIDAZOPYRAZINES FOR USE AS MPS-1 AND TKK INHIBITORS IN THE TREATMENT OF HYPERPROLIFERATIVE DISORDERS | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2012-06-21 | — | — | WO | claimed |