Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 9/20 | 0.37 |
| ▸ | BCHE | P06276 | 8/20 | 0.37 |
| ▸ | TNF | P01375 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL2986767 | 0.93 | CYP19A1 (0.33) | CYP3A4LMNACYP1A2CYP2D6CYP2C9 | |
| SCHEMBL2989390 | 0.89 | PRKCZ (0.35) | CYP3A4LMNACYP1A2CYP2D6CYP2C9 | |
| SCHEMBL29358798 | 0.82 | ACHE (0.46) | ACHEBCHE | |
| SCHEMBL232638 | 0.82 | ACHE (0.46) | ACHEBCHE | |
| Hydrochloric Acid SCHEMBL27746325 | 0.80 | ACHE (0.45) | ACHEBCHE | |
| Isoquinoline SCHEMBL31588723 | 0.78 | TNF (0.48) | TNFCYP3A4LMNACYP1A2CYP2D6 | |
| Naphthalene SCHEMBL7327012 | 0.78 | TNF (0.48) | TNFCYP3A4LMNACYP1A2CYP2D6 | |
| Isoquinoline SCHEMBL30286035 | 0.78 | TNF (0.48) | TNFCYP3A4LMNACYP1A2CYP2D6 | |
| Isoquinoline SCHEMBL1536317 | 0.78 | TNF (0.48) | TNFCYP3A4LMNACYP1A2CYP2D6 | |
| Isoquinoline SCHEMBL9654 | 0.78 | TNF (0.48) | TNFCYP3A4LMNACYP1A2CYP2D6 |
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 |