Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NLRP3 | Q96P20 | 2/20 | 0.39 |
| ▸ | AOC3 | Q16853 | 4/20 | 0.35 |
| ▸ | PPIB | P23284 | 1/20 | 0.34 |
| ▸ | PPIA | P62937 | 1/20 | 0.34 |
| ▸ | PPID | Q08752 | 1/20 | 0.34 |
| ▸ | PPIG | Q13427 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.32 |
| ▸ | CYP21A2 | P08686 | 1/20 | 0.32 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.32 |
| ▸ | GRM5 | P41594 | 1/20 | 0.32 |
| ▸ | S1PR2 | O95136 | 1/20 | 0.32 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL12308000 | 0.89 | GRM5 (0.36) | AOC3CYP11B1GRM5S1PR2 | |
| SCHEMBL12308009 | 0.85 | PI4KA (0.35) | AOC3GRM5 | |
| SCHEMBL12307774 | 0.84 | GRM5 (0.37) | NLRP3AOC3CYP11B1GRM5S1PR2 | |
| SCHEMBL12308021 | 0.84 | ITGB3 (0.35) | AOC3GRM5 | |
| SCHEMBL12307831 | 0.83 | GRM5 (0.39) | ALDH1A1LMNAGAAGRM5 | |
| SCHEMBL12307713 | 0.82 | GRM5 (0.38) | AOC3ALDH1A1POLBGAARAB9A | |
| SCHEMBL12307845 | 0.81 | KDM4E (0.34) | AOC3ALDH1A1HTTKDM4ELMNA | |
| SCHEMBL12307552 | 0.81 | PPID (0.45) | NLRP3PPIBPPIAPPIDPPIG | |
| SCHEMBL12307828 | 0.81 | GRM5 (0.41) | ALDH1A1LMNAPOLBTP53GAA | |
| SCHEMBL12308024 | 0.80 | GRM5 (0.36) | AOC3CYP11B1GRM5S1PR2 |
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 |
|---|---|---|---|---|---|---|---|
| US-20110230472-A1 | RING-FUSED AZOLE DERIVATIVE HAVING PI3K-INHIBITING ACTIVITY | SHIONOGI & CO., LTD. (JP) | 2011-09-22 | — | — | US | disclosed |
| US-20110230472-A1 | RING-FUSED AZOLE DERIVATIVE HAVING PI3K-INHIBITING ACTIVITY | SHIONOGI & CO., LTD. (JP) | 2011-09-22 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20110230472-A1 | RING-FUSED AZOLE DERIVATIVE HAVING PI3K-INHIBITING ACTIVITY | PIK3R5, PIK3R4, PIK3R1 | NLRP3 390/4885AOC3 4051/4885PPIB 2703/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.