Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 6/20 | 0.42 |
| ▸ | CA2 | P00918 | 6/20 | 0.42 |
| ▸ | CA9 | Q16790 | 6/20 | 0.42 |
| ▸ | CA12 | O43570 | 5/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.32 |
| ▸ | TYMP | P19971 | 3/20 | 0.31 |
| ▸ | ATM | Q13315 | 1/20 | 0.31 |
| ▸ | CCR10 | P46092 | 2/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL15570666 | 0.83 | CA12 (0.45) | CA1CA2CA9CA12LMNA | |
| SCHEMBL296106 | 0.77 | LMNA (0.48) | CA1CA2CA9CA12LMNA | |
| SCHEMBL6275195 | 0.77 | LMNA (0.41) | CA1CA2CA9CA12LMNA | |
| SCHEMBL15570476 | 0.70 | CA1 (0.50) | CA1CA2CA9CA12LMNA | |
| SCHEMBL15570179 | 0.69 | CA1 (0.42) | CA1CA2CA9CA12LMNA | |
| SCHEMBL6349798 | 0.69 | LMNA (0.39) | CA1CA2CA9CA12LMNA | |
| SCHEMBL15569511 | 0.67 | CYP3A4 (0.44) | CA1CA2CA9CA12LMNA | |
| SCHEMBL28818918 | 0.67 | KMT2A (0.48) | CA1CA2CA9CA12LMNA | |
| SCHEMBL2360743 | 0.66 | KMT2A (0.43) | CA1CA2CA9CA12LMNA | |
| SCHEMBL27795012 | 0.65 | KMT2A (0.44) | CA1CA2CA9CA12LMNA |
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 1 patent. 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 | disclosed |