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 |
| ▸ | HSD17B10 | Q99714 | 8/20 | 0.50 |
| ▸ | ALOX15 | P16050 | 8/20 | 0.50 |
| ▸ | TSHR | P16473 | 8/20 | 0.50 |
| ▸ | LMNA | P02545 | 7/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.50 |
| ▸ | USP2 | O75604 | 7/20 | 0.49 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 4/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.46 |
| ▸ | CLK4 | Q9HAZ1 | 6/20 | 0.46 |
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 | 0.74 | CYP1A2 (0.55) | CYP1A2CYP2D6CYP3A4CYP2C19HSD17B10 | |
| SCHEMBL183879 | 0.71 | CYP1A2 (0.48) | CYP1A2CYP2D6CYP3A4CYP2C19HSD17B10 | |
| SCHEMBL6533795 | 0.70 | CYP1A2 (0.50) | CYP1A2CYP2D6CYP3A4CYP2C19HSD17B10 | |
| SCHEMBL4511273 | 0.66 | CYP1A2 (0.78) | CYP1A2CYP2D6CYP3A4CYP2C19HSD17B10 | |
| SCHEMBL4519746 | 0.66 | KMT2A (0.52) | CYP1A2CYP2D6CYP3A4HSD17B10LMNA | |
| SCHEMBL1084789 | 0.66 | KMT2A (0.52) | LMNAALDH1A1SMN1; SMN2MAPK1MAPT | |
| SCHEMBL1083851 | 0.66 | MEN1 (0.81) | CYP1A2CYP2D6CYP3A4CYP2C19HSD17B10 | |
| SCHEMBL1084297 | 0.65 | KMT2A (0.51) | TSHRLMNAALDH1A1SMN1; SMN2MAPK1 | |
| SCHEMBL1084486 | 0.65 | MEN1 (0.54) | CYP1A2CYP2D6CYP3A4TSHRLMNA | |
| SCHEMBL4513952 | 0.65 | CYP1A2 (0.74) | CYP1A2CYP2D6CYP3A4CYP2C19HSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2004078733-A1 | QUINAZOLINES USEFUL AS MODULATORS OF ION CHANNELS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2004-09-16 | — | — | WO | disclosed |