Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 15/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 15/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 14/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 11/20 | 0.50 |
| ▸ | TSHR | P16473 | 9/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 8/20 | 0.50 |
| ▸ | LMNA | P02545 | 8/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.50 |
| ▸ | ALOX15 | P16050 | 7/20 | 0.49 |
| ▸ | USP2 | O75604 | 6/20 | 0.49 |
| ▸ | CLK4 | Q9HAZ1 | 5/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.47 |
| ▸ | MEN1 | O00255 | 5/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.47 |
| ▸ | HPGD | P15428 | 2/20 | 0.47 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL939227 | 0.95 | CYP1A2 (0.55) | CYP1A2CYP2D6CYP3A4CYP2C19TSHR | |
| SCHEMBL1084710 | 0.81 | KMT2A (0.52) | CYP1A2CYP2D6CYP3A4CYP2C19TSHR | |
| SCHEMBL938993 | 0.81 | CYP1A2 (0.40) | CYP1A2CYP2D6CYP3A4CYP2C19TSHR | |
| SCHEMBL183879 | 0.81 | CYP1A2 (0.48) | CYP1A2CYP2D6CYP3A4CYP2C19TSHR | |
| SCHEMBL938995 | 0.75 | CYP1A2 (0.53) | CYP1A2CYP2D6CYP3A4CYP2C19TSHR | |
| SCHEMBL3910814 | 0.71 | ELANE (0.58) | CYP1A2CYP2D6CYP3A4CYP2C19TSHR | |
| SCHEMBL1084308 | 0.70 | MEN1 (0.50) | CYP1A2CYP2D6CYP3A4CYP2C19TSHR | |
| SCHEMBL8344637 | 0.70 | CYP1A2 (0.50) | CYP1A2CYP2D6CYP3A4CYP2C19TSHR | |
| SCHEMBL183703 | 0.68 | PTGES (0.39) | — | |
| SCHEMBL1084998 | 0.68 | CYP1A2 (0.65) | CYP1A2CYP2D6CYP3A4CYP2C19TSHR |
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 |
|---|---|---|---|---|---|---|---|
| EP-1608632-A1 | QUINAZOLINES USEFUL AS MODULATORS OF ION CHANNELS | Vertex Pharmaceuticals Incorporated (US) | 2005-12-28 | — | — | EP | disclosed |
| US-20040248890-A1 | Quinazolines useful as modulators of ion channels | VERTEX PHARMACEUTICALS INCORPORATED | 2004-12-09 | — | — | US | disclosed |
| WO-2004078733-A1 | QUINAZOLINES USEFUL AS MODULATORS OF ION CHANNELS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2004-09-16 | — | — | WO | 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-20040248890-A1 | Quinazolines useful as modulators of ion channels | KCNN3, KCNN2, CACNA1I | CYP1A2 2515/4885CYP2D6 2468/4885CYP3A4 2226/4885 |
“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.