Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.49 |
| ▸ | IDO1 | P14902 | 3/20 | 0.44 |
| ▸ | TDO2 | P48775 | 3/20 | 0.44 |
| ▸ | PIP4K2A | P48426 | 1/20 | 0.39 |
| ▸ | PIP4K2B | P78356 | 1/20 | 0.39 |
| ▸ | PIP4K2C | Q8TBX8 | 1/20 | 0.39 |
| ▸ | IKBKB | O14920 | 2/20 | 0.37 |
| ▸ | CHUK | O15111 | 2/20 | 0.37 |
| ▸ | JAK2 | O60674 | 1/20 | 0.37 |
| ▸ | JAK1 | P23458 | 1/20 | 0.37 |
| ▸ | TYK2 | P29597 | 1/20 | 0.37 |
| ▸ | JAK3 | P52333 | 1/20 | 0.37 |
| ▸ | BACE1 | P56817 | 1/20 | 0.35 |
| ▸ | MAPK10 | P53779 | 2/20 | 0.35 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.35 |
| ▸ | CLK1 | P49759 | 1/20 | 0.35 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.35 |
| ▸ | DYRK2 | Q92630 | 1/20 | 0.35 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.35 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL1703305 | 0.87 | CYP3A4 (0.57) | CYP3A4IDO1TDO2PIP4K2APIP4K2B | |
| SCHEMBL16508299 | 0.86 | CYP3A4 (0.49) | CYP3A4IDO1TDO2PIP4K2APIP4K2B | |
| SCHEMBL16508295 | 0.84 | CYP3A4 (0.49) | CYP3A4PIP4K2APIP4K2BPIP4K2CMAPK10 | |
| SCHEMBL15188916 | 0.84 | CYP3A4 (0.49) | CYP3A4IDO1TDO2PIP4K2APIP4K2B | |
| SCHEMBL1703309 | 0.73 | CYP3A4 (0.57) | CYP3A4IDO1TDO2PIP4K2APIP4K2B | |
| SCHEMBL625962 | 0.73 | CYP3A4 (0.57) | CYP3A4IDO1TDO2PIP4K2APIP4K2B | |
| SCHEMBL16508267 | 0.71 | NPC1 (0.41) | CYP3A4PIP4K2APIP4K2BPIP4K2CIKBKB | |
| SCHEMBL1702764 | 0.71 | CYP3A4 (0.57) | CYP3A4PIP4K2APIP4K2BPIP4K2CMAPK10 | |
| SCHEMBL16508262 | 0.70 | DYRK1B (0.41) | IKBKBCHUKMAPK10CYP17A1CLK1 | |
| SCHEMBL2450318 | 0.69 | CYP3A4 (0.51) | CYP3A4PIP4K2APIP4K2BPIP4K2CMAPK10 |
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-20110300103-A1 | HETEROCYCLIC ANTIVIRAL COMPOUNDS | ROCHE PALO ALTO LLC (US) | 2011-12-08 | — | — | 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-20110300103-A1 | HETEROCYCLIC ANTIVIRAL COMPOUNDS | EIF2AK2, ZC3HAV1, IRF3 | CYP3A4 55/4885IDO1 1306/4885TDO2 3976/4885 |
“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.