Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 11/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 11/20 | 0.44 |
| ▸ | CLK4 | Q9HAZ1 | 10/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 10/20 | 0.44 |
| ▸ | USP2 | O75604 | 8/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 9/20 | 0.44 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.40 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.39 |
| ▸ | TSHR | P16473 | 3/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | ABL1 | P00519 | 4/20 | 0.39 |
| ▸ | BCR | P11274 | 4/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 3/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | GLA | P06280 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.38 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL15356521 | 0.93 | CYP1A2 (0.47) | CYP1A2CYP3A4CLK4CYP2D6USP2 | |
| SCHEMBL19355388 | 0.91 | CYP1A2 (0.44) | CYP1A2CYP3A4CLK4CYP2D6USP2 | |
| SCHEMBL19355069 | 0.90 | CYP1A2 (0.42) | CYP1A2CYP3A4CLK4CYP2D6USP2 | |
| SCHEMBL19355068 | 0.90 | CYP1A2 (0.42) | CYP1A2CYP3A4CLK4CYP2D6USP2 | |
| SCHEMBL19905232 | 0.89 | CLK4 (0.46) | CYP1A2CYP3A4CLK4CYP2D6USP2 | |
| SCHEMBL19355384 | 0.89 | PDE10A (0.44) | CYP1A2CYP3A4CLK4CYP2D6USP2 | |
| SCHEMBL16660255 | 0.88 | CYP1A2 (0.49) | CYP1A2CYP3A4CLK4CYP2D6USP2 | |
| SCHEMBL19355381 | 0.87 | ABL1 (0.43) | CYP1A2CYP3A4CLK4CYP2D6USP2 | |
| SCHEMBL20373142 | 0.87 | CLK4 (0.45) | CYP1A2CYP3A4CLK4CYP2D6USP2 | |
| SCHEMBL19355451 | 0.87 | HCAR3 (0.45) | CYP1A2CYP3A4CLK4CYP2D6USP2 |
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-20170258789-A1 | DNA-PK INHIBITORS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2017-09-14 | — | — | 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-20170258789-A1 | DNA-PK INHIBITORS | POLK, DTYMK, DCK | CYP1A2 2215/4885CYP3A4 1759/4885CLK4 383/4885 |
“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.