Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 8/20 | 0.50 |
| ▸ | CA2 | P00918 | 8/20 | 0.50 |
| ▸ | CA9 | Q16790 | 8/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | THRB | P10828 | 2/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | CA12 | O43570 | 7/20 | 0.44 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.41 |
| ▸ | GLA | P06280 | 1/20 | 0.39 |
| ▸ | EGFR | P00533 | 3/20 | 0.38 |
| ▸ | ERBB2 | P04626 | 3/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| SCHEMBL15570281 | 0.86 | CA1 (0.48) | CA1CA2CA9MAPK1LMNA | |
| SCHEMBL15570075 | 0.84 | CA1 (0.46) | CA1CA2CA9MAPK1LMNA | |
| SCHEMBL15570409 | 0.84 | CA1 (0.46) | CA1CA2CA9MAPK1LMNA | |
| SCHEMBL11492372 | 0.79 | ALDH1A1 (0.51) | CA1CA2CA9MAPK1LMNA | |
| SCHEMBL28736267 | 0.74 | CHRM1 (0.56) | CA1CA2CA9MAPK1LMNA | |
| SCHEMBL8887768 | 0.74 | MAPK1 (0.46) | CA1CA2CA9MAPK1LMNA | |
| SCHEMBL8885703 | 0.72 | MAPK1 (0.44) | CA1CA2CA9MAPK1LMNA | |
| SCHEMBL28484741 | 0.72 | MAPK1 (0.56) | CA1CA2CA9MAPK1LMNA | |
| SCHEMBL8595549 | 0.70 | MAPK1 (0.42) | CA1CA2CA9MAPK1LMNA | |
| SCHEMBL15570602 | 0.70 | CA1 (0.42) | CA1CA2CA9LMNATHRB |
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-2014030142-A2 | NITROIMIDAZOLE COMPOUNDS AND THEIR USE IN CANCER THERAPY | AUCKLAND UNISERVICES LIMITED (NZ) | 2014-02-27 | — | — | WO | claimed |
| WO-2014030142-A2 | NITROIMIDAZOLE COMPOUNDS AND THEIR USE IN CANCER THERAPY | AUCKLAND UNISERVICES LIMITED (NZ) | 2014-02-27 | — | — | WO | disclosed |