Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | NCF1 | P14598 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | USP2 | O75604 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | CRHBP | P24387 | 1/20 | 0.30 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.30 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.30 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL240893 | 0.96 | ALDH1A1 (0.38) | ALDH1A1ATMNCF1KDM4EMAPT | |
| Bromide SCHEMBL7758538 | 0.94 | ALDH1A1 (0.37) | ALDH1A1ATMNCF1KDM4ECRHBP | |
| SCHEMBL247478 | 0.82 | ALDH1A1 (0.41) | ALDH1A1ATMKDM4EMEN1POLB | |
| SCHEMBL29364156 | 0.82 | ALDH1A1 (0.41) | ALDH1A1ATMKDM4EMEN1POLB | |
| Quinoxaline SCHEMBL30320908 | 0.72 | ALDH1A1 (0.58) | ALDH1A1NCF1KDM4EMEN1USP2 | |
| Quinoxaline SCHEMBL6928518 | 0.72 | ALDH1A1 (0.58) | ALDH1A1NCF1KDM4EMEN1USP2 | |
| Quinoxaline SCHEMBL5315 | 0.72 | ALDH1A1 (0.58) | ALDH1A1NCF1KDM4EMEN1USP2 | |
| Quinoxaline SCHEMBL29355228 | 0.72 | ALDH1A1 (0.58) | ALDH1A1NCF1KDM4EMEN1USP2 | |
| SCHEMBL1747903 | 0.72 | KDM4A (0.31) | — | |
| SCHEMBL5894630 | 0.72 | METAP1 (0.32) | — |
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-1858883-A2 | HETEROCYCLIC N-OXIDES AS HYPOXIC SELECTIVE PROTEIN KINASE INHIBITORS | Sentinel Oncology Limited (GB) | 2007-11-28 | — | — | EP | disclosed |
| WO-2006120573-A2 | HETEROCYCLIC N-OXIDES AS HYPOXIC SELECTIVE PROTEIN KINASE INHIBITORS | SENTINEL ONCOLOGY LIMITED (GB) | 2006-11-16 | — | — | WO | disclosed |