Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.64 |
| ▸ | CA1 | P00915 | 1/20 | 0.64 |
| ▸ | CA2 | P00918 | 1/20 | 0.64 |
| ▸ | CA9 | Q16790 | 1/20 | 0.64 |
| ▸ | BAZ1A | Q9NRL2 | 1/20 | 0.62 |
| ▸ | TRPV1 | Q8NER1 | 6/20 | 0.62 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.61 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.57 |
| ▸ | MEN1 | O00255 | 2/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.53 |
| ▸ | MAPT | P10636 | 1/20 | 0.53 |
| ▸ | HTT | P42858 | 1/20 | 0.53 |
| ▸ | RAB9A | P51151 | 1/20 | 0.53 |
| ▸ | KDR | P35968 | 1/20 | 0.53 |
| ▸ | MTOR | P42345 | 2/20 | 0.52 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.52 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.52 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.52 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.52 |
| ▸ | IDH1 | O75874 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL4350115 | 0.86 | BAZ1A (0.65) | CA12CA1CA2CA9BAZ1A | |
| SCHEMBL26697304 | 0.85 | KDR (0.74) | CA12CA1CA2CA9BAZ1A | |
| SCHEMBL21750906 | 0.84 | RAB9A (0.56) | CA12CA1CA2CA9TRPV1 | |
| SCHEMBL29757932 | 0.84 | RAB9A (0.56) | CA12CA1CA2CA9TRPV1 | |
| SCHEMBL26697308 | 0.84 | KDR (0.74) | CA1CA2CA9TRPV1KDR | |
| SCHEMBL21750964 | 0.84 | KDR (0.57) | CA12CA1CA2CA9TRPV1 | |
| SCHEMBL26697230 | 0.83 | EPHX2 (0.64) | CA12CA1CA2CA9EPHX2 | |
| SCHEMBL18031166 | 0.82 | EPHX2 (0.85) | CA12CA1CA2CA9BAZ1A | |
| SCHEMBL26697246 | 0.81 | KMT2A (0.56) | TRPV1GRIK1MEN1KMT2AMAPT | |
| SCHEMBL26697254 | 0.81 | KMT2A (0.72) | GRIK1MEN1KMT2AMAPTHTT |
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 4 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 |
| 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 |