Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DDR1 | Q08345 | 3/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | HTT | P42858 | 2/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.40 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.40 |
| ▸ | EGFR | P00533 | 1/20 | 0.40 |
| ▸ | GLA | P06280 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | BTK | Q06187 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL25360747 | 1.00 | DDR1 (0.42) | DDR1KDM4EALDH1A1HPGDHTT | |
| SCHEMBL30784492 | 0.87 | CYP1A2 (0.41) | DDR1KDM4EALDH1A1HPGDHTT | |
| SCHEMBL30784349 | 0.87 | DDR1 (0.38) | DDR1KDM4EALDH1A1HPGDHTT | |
| SCHEMBL30784134 | 0.84 | DDR1 (0.38) | DDR1ALDH1A1HTTEGFRTSHR | |
| SCHEMBL30784327 | 0.83 | ALDH1A1 (0.47) | DDR1ALDH1A1HPGDHSD17B10RXFP1 | |
| SCHEMBL30784012 | 0.81 | PDE1A (0.38) | DDR1HTTRXFP1EGFRCYP3A4 | |
| SCHEMBL30336004 | 0.81 | EGFR (0.43) | DDR1KDM4EALDH1A1HPGDHTT | |
| SCHEMBL25360881 | 0.81 | EGFR (0.43) | DDR1KDM4EALDH1A1HPGDHTT | |
| SCHEMBL15228801 | 0.78 | ALDH1A1 (0.45) | KDM4EALDH1A1HPGDHTTHSD17B10 | |
| SCHEMBL30784404 | 0.77 | EGFR (0.40) | DDR1ALDH1A1HPGDHTTRXFP1 |
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-2024000401-A1 | 2-((1-(6-METHYL-4-OXO-3,4-DIHYDROQUINAZOLIN-8-YL)ETHYL)AMINO)BENZOIC ACID DERIVATIVES AND SIMILAR COMPOUNDS AS PI3K INHIBITORS FOR THE TREATMENT OF E.G. CANCER | QILU REGOR THERAPEUTICS INC. (CN) | 2024-01-04 | — | — | WO | disclosed |