Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 6/20 | 0.42 |
| ▸ | CHEK2 | O96017 | 12/20 | 0.41 |
| ▸ | CHEK1 | O14757 | 5/20 | 0.41 |
| ▸ | MEN1 | O00255 | 4/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | AURKA | O14965 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL4968459 | 0.83 | CHEK2 (0.36) | CHEK2 | |
| SCHEMBL4969942 | 0.80 | CHEK2 (0.42) | KMT2ACHEK2CHEK1MEN1 | |
| SCHEMBL295770 | 0.74 | CYP1A2 (0.61) | KMT2ACHEK2MEN1MAPTNPSR1 | |
| Hydrochloric Acid SCHEMBL1623525 | 0.73 | CYP1A2 (0.60) | KMT2ACHEK2MEN1MAPTNPSR1 | |
| SCHEMBL183759 | 0.73 | KMT2A (0.52) | KMT2AMEN1MAPTNPSR1KDM4E | |
| SCHEMBL13769135 | 0.73 | KMT2A (0.50) | KMT2AMEN1MAPTNPSR1KDM4E | |
| SCHEMBL27900546 | 0.73 | KMT2A (0.50) | KMT2AMEN1MAPTNPSR1KDM4E | |
| SCHEMBL1084199 | 0.71 | KMT2A (0.57) | KMT2AMEN1MAPTNPSR1KDM4E | |
| SCHEMBL1084260 | 0.71 | CYP2D6 (0.55) | KMT2ACHEK2MEN1MAPTNPSR1 | |
| SCHEMBL2734047 | 0.70 | SMAD3 (0.73) | KMT2ACHEK2MEN1MAPTNPSR1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1957482-A2 | QUINAZOLINES USEFUL AS MODULATORS OF VOLTAGE GATED ION CHANNELS | Vertex Pharmaceuticals, Inc. (US) | 2008-08-20 | — | — | EP | claimed |
| WO-2007058989-A2 | QUINAZOLINES USEFUL AS MODULATORS OF VOLTAGE GATED ION CHANNELS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2007-05-24 | — | — | WO | claimed |
| EP-1957482-B1 | QUINAZOLINES USEFUL AS MODULATORS OF VOLTAGE GATED ION CHANNELS | VERTEX PHARMA (US) | 2012-01-04 | — | — | EP | disclosed |
| EP-1957482-A2 | QUINAZOLINES USEFUL AS MODULATORS OF VOLTAGE GATED ION CHANNELS | Vertex Pharmaceuticals, Inc. (US) | 2008-08-20 | — | — | EP | disclosed |
| WO-2007058989-A2 | QUINAZOLINES USEFUL AS MODULATORS OF VOLTAGE GATED ION CHANNELS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2007-05-24 | — | — | WO | disclosed |