Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MPO | P05164 | 17/20 | 0.47 |
| ▸ | TPO | P07202 | 15/20 | 0.47 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.35 |
| ▸ | AHR | P35869 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL2282123 | 0.82 | MPO (0.63) | MPOTPOKCNH2CYP3A4ALDH1A1 | |
| SCHEMBL2454165 | 0.78 | MPO (0.41) | MPOTPOKCNH2CYP3A4KMT2A | |
| SCHEMBL2460010 | 0.71 | MPO (0.65) | MPOTPOKCNH2CYP3A4MEN1 | |
| SCHEMBL2456512 | 0.71 | MPO (0.54) | MPOTPOKCNH2CYP3A4 | |
| SCHEMBL27223609 | 0.63 | MPO (0.56) | MPOTPOKCNH2CYP3A4 | |
| SCHEMBL27224199 | 0.63 | MPO (0.56) | MPOTPOKCNH2CYP3A4 | |
| SCHEMBL27223569 | 0.63 | MPO (0.53) | MPOTPOKCNH2CYP3A4MEN1 | |
| SCHEMBL30749245 | 0.62 | MPO (0.54) | MPOTPOKCNH2CYP3A4ALDH1A1 | |
| SCHEMBL2286263 | 0.61 | MPO (0.59) | MPOTPOKCNH2CYP3A4KMT2A | |
| SCHEMBL30749376 | 0.61 | MPO (0.51) | MPOTPOKCNH2CYP3A4ALDH1A1 |
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 |