Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDR | P35968 | 1/20 | 0.74 |
| ▸ | TRPV1 | Q8NER1 | 3/20 | 0.69 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.66 |
| ▸ | CDK19 | Q9BWU1 | 1/20 | 0.66 |
| ▸ | MEN1 | O00255 | 3/20 | 0.62 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.62 |
| ▸ | MAPT | P10636 | 2/20 | 0.62 |
| ▸ | HTT | P42858 | 1/20 | 0.62 |
| ▸ | RAB9A | P51151 | 1/20 | 0.62 |
| ▸ | GRIK1 | P39086 | 7/20 | 0.62 |
| ▸ | BAZ1A | Q9NRL2 | 1/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.57 |
| ▸ | POLB | P06746 | 1/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.57 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.57 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.57 |
| ▸ | XBP1 | P17861 | 1/20 | 0.57 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.57 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL14459439 | 0.88 | KDR (0.76) | KDRTRPV1NTRK1CDK19MEN1 | |
| SCHEMBL1463622 | 0.87 | TRPV1 (0.70) | KDRTRPV1NTRK1CDK19MEN1 | |
| SCHEMBL10991763 | 0.85 | KDR (1.00) | KDRTRPV1NTRK1CDK19MEN1 | |
| SCHEMBL26697260 | 0.85 | CA12 (0.64) | KDRTRPV1MEN1KMT2AMAPT | |
| SCHEMBL1463509 | 0.85 | GRIK1 (0.77) | KDRTRPV1NTRK1CDK19MEN1 | |
| SCHEMBL3676521 | 0.85 | TRPV1 (0.67) | KDRTRPV1NTRK1CDK19MEN1 | |
| SCHEMBL1463407 | 0.84 | NTRK1 (0.77) | KDRTRPV1NTRK1CDK19MEN1 | |
| SCHEMBL5594672 | 0.84 | KDR (0.69) | KDRTRPV1NTRK1CDK19MEN1 | |
| SCHEMBL26697226 | 0.83 | TRPV1 (0.64) | KDRTRPV1MEN1KMT2AMAPT | |
| SCHEMBL6370948 | 0.82 | TRPV1 (0.64) | KDRTRPV1NTRK1CDK19MEN1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-114920703-B | Quinazoline derivative and preparation method and application thereof | 天津济坤医药科技有限公司 | 2024-01-09 | — | — | CN | disclosed |
| WO-2023226323-A1 | QUINAZOLINE DERIVATIVE, AND PREPARATION METHOD THEREFOR AND USE THEREOF | 天津济坤医药科技有限公司 | 2023-11-30 | — | — | WO | disclosed |
| CN-114920703-A | Quinazoline derivative and preparation method and application thereof | 天津济坤医药科技有限公司 | 2022-08-19 | — | — | CN | disclosed |