Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 3/20 | 0.48 |
| ▸ | AAK1 | Q2M2I8 | 5/20 | 0.46 |
| ▸ | RAF1 | P04049 | 1/20 | 0.44 |
| ▸ | KDR | P35968 | 1/20 | 0.44 |
| ▸ | MAP2K2 | P36507 | 1/20 | 0.44 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.44 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.44 |
| ▸ | CTSB | P07858 | 1/20 | 0.43 |
| ▸ | CTSS | P25774 | 1/20 | 0.43 |
| ▸ | CTSK | P43235 | 1/20 | 0.43 |
| ▸ | HDAC4 | P56524 | 3/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.40 |
| ▸ | JAK2 | O60674 | 2/20 | 0.40 |
| ▸ | MEF2D | Q14814 | 1/20 | 0.39 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.39 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.39 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.39 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL11901156 | 0.87 | CTSS (0.43) | CTSBCTSSCTSKHDAC4HDAC1 | |
| SCHEMBL1752668 | 0.87 | EGFR (0.53) | EGFRAAK1RAF1KDRMAP2K2 | |
| SCHEMBL12682883 | 0.87 | DDX3X (0.44) | EGFRAAK1HDAC4HDAC1JAK2 | |
| SCHEMBL11900838 | 0.84 | NR1H4 (0.42) | CTSBCTSSCTSKHDAC1RXFP1 | |
| SCHEMBL11901699 | 0.81 | CTSS (0.43) | EGFRAAK1CTSSCTSKHDAC4 | |
| SCHEMBL11901223 | 0.80 | CTSS (0.42) | EGFRAAK1CTSSCTSKHDAC4 | |
| SCHEMBL12473109 | 0.80 | CTSS (0.42) | EGFRAAK1CTSSCTSKHDAC4 | |
| SCHEMBL11901858 | 0.78 | CTSS (0.41) | AAK1CTSSCTSKHDAC4HDAC1 | |
| SCHEMBL11902012 | 0.78 | CTSS (0.41) | AAK1CTSSCTSKHDAC4HDAC1 | |
| SCHEMBL11900816 | 0.78 | CTSS (0.41) | AAK1CTSSCTSKHDAC4HDAC1 |
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-8653089-B2 | Heterocyclic compounds and methods of use | F. HOFFMANN-LA ROCHE AG (CH) | 2014-02-18 | — | — | US | disclosed |
| US-20120202785-A1 | HETEROCYCLIC COMPOUNDS AND METHODS OF USE | F. HOFFMANN-LA ROCHE AG (CH) | 2012-08-09 | — | — | 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-20120202785-A1 | HETEROCYCLIC COMPOUNDS AND METHODS OF USE | PIK3CA, PIK3CD, AKT3 | EGFR 2123/4885AAK1 1089/4885RAF1 180/4885 |
“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.