Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RX7 | Q99572 | 1/20 | 0.48 |
| ▸ | GRM4 | Q14833 | 3/20 | 0.40 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.37 |
| ▸ | HKDC1 | Q2TB90 | 1/20 | 0.33 |
| ▸ | FAAH | O00519 | 1/20 | 0.33 |
| ▸ | CTNNB1 | P35222 | 2/20 | 0.32 |
| ▸ | WNT3A | P56704 | 2/20 | 0.32 |
| ▸ | GSK3A | P49840 | 1/20 | 0.31 |
| ▸ | GSK3B | P49841 | 1/20 | 0.31 |
| ▸ | ABL1 | P00519 | 1/20 | 0.31 |
| ▸ | BRD4 | O60885 | 1/20 | 0.30 |
| ▸ | BRPF1 | P55201 | 1/20 | 0.30 |
| ▸ | TBXA2R | P21731 | 2/20 | 0.30 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.30 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.30 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.30 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.30 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.30 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.30 |
| ▸ | HDAC11 | Q96DB2 | 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 | |
|---|---|---|---|---|
| SCHEMBL15500957 | 0.82 | P2RX7 (0.61) | P2RX7GRM4HSP90AA1HKDC1FAAH | |
| SCHEMBL30216714 | 0.82 | P2RX7 (0.61) | P2RX7GRM4HSP90AA1HKDC1FAAH | |
| SCHEMBL16791674 | 0.79 | P2RX7 (0.49) | P2RX7GRM4HSP90AA1HKDC1FAAH | |
| SCHEMBL16791169 | 0.79 | P2RX7 (0.44) | P2RX7GRM4HSP90AA1HKDC1FAAH | |
| SCHEMBL37633 | 0.75 | P2RX7 (0.69) | P2RX7GRM4FAAHGSK3AGSK3B | |
| SCHEMBL30189633 | 0.74 | — | — | |
| SCHEMBL14755756 | 0.74 | — | — | |
| SCHEMBL26081630 | 0.74 | — | — | |
| SCHEMBL28562684 | 0.74 | — | — | |
| SCHEMBL640710 | 0.72 | CES2 (0.50) | GSK3BHDAC3HDAC4HDAC1HDAC7 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2016001266-A1 | FLUORO-[1,3]OXAZINES AS BACE1 INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2016-01-07 | — | — | WO | disclosed |
| US-20110118236-A1 | HETEROCYCLIC COMPOUND | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2011-05-19 | — | — | US | disclosed |
| EP-2269990-A1 | HETEROCYCLIC COMPOUND | Takeda Pharmaceutical Company Limited (JP) | 2011-01-05 | — | — | EP | 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-20110118236-A1 | HETEROCYCLIC COMPOUND | GRIN1, GRM1, GRIK1 | P2RX7 267/4885GRM4 25/4885HSP90AA1 4493/4885 |
“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.