Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MPO | P05164 | 6/20 | 0.41 |
| ▸ | TPO | P07202 | 4/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | PNP | P00491 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL2286263 | 0.82 | MPO (0.59) | MPOTPOCYP3A4KCNH2PNP | |
| SCHEMBL2454888 | 0.78 | MPO (0.47) | MPOTPOCYP3A4KCNH2KMT2A | |
| SCHEMBL2461789 | 0.71 | MPO (0.48) | MPOTPOCYP3A4KCNH2PNP | |
| SCHEMBL2460010 | 0.65 | MPO (0.65) | MPOTPOCYP3A4KCNH2PNP | |
| SCHEMBL2282123 | 0.61 | MPO (0.63) | MPOTPOCYP3A4KCNH2PNP | |
| SCHEMBL1460860 | 0.61 | MPO (1.00) | MPOTPOCYP3A4KCNH2PNP | |
| Trifluoroacetic Acid SCHEMBL2457259 | 0.59 | MPO (0.53) | MPOTPOCYP3A4KCNH2PNP | |
| Trifluoroacetic Acid SCHEMBL2455433 | 0.59 | MPO (0.50) | MPOTPOCYP3A4KCNH2PNP | |
| SCHEMBL2282109 | 0.59 | MPO (0.58) | MPOTPOCYP3A4KCNH2PNP | |
| SCHEMBL2285006 | 0.59 | MPO (0.61) | MPOTPOCYP3A4KCNH2PNP |
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 |
|---|---|---|---|---|---|---|---|
| US-8026244-B2 | Thioxanthine derivatives and their use as inhibitors of MPO | ASTRAZENECA AB (SE) | 2011-09-27 | — | — | US | disclosed |