Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 14/20 | 0.77 |
| ▸ | CYP1A2 | P05177 | 13/20 | 0.77 |
| ▸ | CLK4 | Q9HAZ1 | 12/20 | 0.77 |
| ▸ | LMNA | P02545 | 10/20 | 0.77 |
| ▸ | CYP2C19 | P33261 | 10/20 | 0.77 |
| ▸ | MAPK1 | P28482 | 10/20 | 0.77 |
| ▸ | CYP2D6 | P10635 | 9/20 | 0.77 |
| ▸ | HIF1A | Q16665 | 9/20 | 0.77 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.77 |
| ▸ | USP2 | O75604 | 4/20 | 0.77 |
| ▸ | MEN1 | O00255 | 3/20 | 0.77 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.77 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.62 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.62 |
| ▸ | MAPT | P10636 | 2/20 | 0.62 |
| ▸ | HPGD | P15428 | 1/20 | 0.62 |
| ▸ | TSHR | P16473 | 7/20 | 0.60 |
| ▸ | TP53 | P04637 | 2/20 | 0.56 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.56 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL1675322 | 0.89 | CLK4 (0.78) | CYP3A4CYP1A2CLK4LMNACYP2C19 | |
| SCHEMBL1675259 | 0.87 | CYP1A2 (1.00) | CYP3A4CYP1A2CLK4LMNACYP2C19 | |
| SCHEMBL1675346 | 0.82 | CLK4 (0.68) | CYP3A4CYP1A2CLK4LMNACYP2C19 | |
| SCHEMBL4357245 | 0.81 | CLK4 (0.70) | CYP3A4CYP1A2CLK4LMNACYP2C19 | |
| SCHEMBL4351394 | 0.81 | CYP3A4 (0.70) | CYP3A4CYP1A2CLK4LMNACYP2C19 | |
| SCHEMBL4121396 | 0.78 | CLK4 (0.73) | CYP3A4CYP1A2CLK4LMNACYP2C19 | |
| SCHEMBL4355316 | 0.77 | GAK (0.83) | CYP3A4CYP1A2CLK4LMNACYP2C19 | |
| SCHEMBL3111815 | 0.76 | CYP3A4 (0.63) | CYP3A4CYP1A2CLK4LMNACYP2C19 | |
| SCHEMBL12927745 | 0.75 | CLK4 (0.61) | CYP3A4CYP1A2CLK4LMNACYP2C19 | |
| SCHEMBL731931 | 0.75 | CYP3A4 (0.65) | CYP3A4CYP1A2CLK4LMNACYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011041655-A1 | QUINAZOLIN-4-AMINE DERIVATIVES; AND METHODS OF USE | THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 2011-04-07 | — | — | WO | claimed |
| WO-2011041655-A1 | QUINAZOLIN-4-AMINE DERIVATIVES; AND METHODS OF USE | THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 2011-04-07 | — | — | WO | disclosed |