Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTK2 | Q05397 | 1/20 | 0.48 |
| ▸ | EGFR | P00533 | 7/20 | 0.47 |
| ▸ | ERBB2 | P04626 | 7/20 | 0.47 |
| ▸ | KDR | P35968 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 3/20 | 0.45 |
| ▸ | CA12 | O43570 | 2/20 | 0.44 |
| ▸ | CA1 | P00915 | 2/20 | 0.44 |
| ▸ | CA2 | P00918 | 2/20 | 0.44 |
| ▸ | CA9 | Q16790 | 2/20 | 0.44 |
| ▸ | GLA | P06280 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | HTR3A | P46098 | 1/20 | 0.43 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | THRB | P10828 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL28350110 | 0.91 | LMNA (0.47) | PTK2EGFRERBB2KDRLMNA | |
| SCHEMBL22089506 | 0.84 | PTK2 (0.54) | PTK2EGFRERBB2KDRLMNA | |
| SCHEMBL22104306 | 0.82 | LMNA (0.53) | PTK2EGFRERBB2KDRLMNA | |
| SCHEMBL28882681 | 0.82 | PTK2 (0.52) | PTK2EGFRERBB2KDRLMNA | |
| SCHEMBL22104534 | 0.82 | EGFR (0.52) | PTK2EGFRERBB2KDRLMNA | |
| SCHEMBL22104307 | 0.81 | EGFR (0.52) | PTK2EGFRERBB2KDRLMNA | |
| SCHEMBL22089494 | 0.81 | EGFR (0.52) | PTK2EGFRERBB2KDRLMNA | |
| SCHEMBL28350000 | 0.81 | PTK2 (0.51) | PTK2EGFRERBB2KDRLMNA | |
| SCHEMBL22104537 | 0.74 | EGFR (0.50) | PTK2EGFRERBB2KDRLMNA | |
| SCHEMBL4272926 | 0.70 | CA2 (0.60) | EGFRERBB2KDRLMNACA12 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2020119212-A1 | NITROIMIDAZOLE DERIVATIVE, PREPARATION AND USES THEREOF | 诺沃斯达药业有限公司 | 2020-06-18 | — | — | WO | disclosed |
| WO-2020119212-A1 | NITROIMIDAZOLE DERIVATIVE, PREPARATION AND USES THEREOF | 诺沃斯达药业有限公司 | 2020-06-18 | — | — | WO | disclosed |
| CN-110776492-A | Nitroimidazole derivative and preparation and application thereof | 诺沃斯达药业有限公司 | 2020-02-11 | — | — | CN | disclosed |