Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 9/20 | 0.52 |
| ▸ | ERBB2 | P04626 | 9/20 | 0.52 |
| ▸ | LMNA | P02545 | 3/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.51 |
| ▸ | THRB | P10828 | 1/20 | 0.51 |
| ▸ | TSHR | P16473 | 1/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.51 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.51 |
| ▸ | GLA | P06280 | 1/20 | 0.50 |
| ▸ | KDR | P35968 | 1/20 | 0.48 |
| ▸ | CA12 | O43570 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | CA9 | Q16790 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL28350000 | 0.90 | PTK2 (0.51) | EGFRERBB2LMNAALDH1A1THRB | |
| SCHEMBL22089506 | 0.88 | PTK2 (0.54) | EGFRERBB2LMNAALDH1A1THRB | |
| SCHEMBL22104306 | 0.86 | LMNA (0.53) | EGFRERBB2LMNAALDH1A1THRB | |
| SCHEMBL28882681 | 0.86 | PTK2 (0.52) | EGFRERBB2LMNAALDH1A1THRB | |
| SCHEMBL22104534 | 0.85 | EGFR (0.52) | EGFRERBB2LMNAALDH1A1THRB | |
| SCHEMBL22089494 | 0.84 | EGFR (0.52) | EGFRERBB2LMNAPTK2GLA | |
| SCHEMBL22089641 | 0.81 | PTK2 (0.48) | EGFRERBB2LMNAALDH1A1THRB | |
| SCHEMBL28350110 | 0.79 | LMNA (0.47) | EGFRERBB2LMNAALDH1A1PTK2 | |
| SCHEMBL22104537 | 0.77 | EGFR (0.50) | EGFRERBB2LMNAALDH1A1THRB | |
| SCHEMBL30988953 | 0.74 | GLA (0.61) | EGFRERBB2LMNAALDH1A1THRB |
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-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 |