Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.49 |
| ▸ | ERN1 | O75460 | 4/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | ACACB | O00763 | 4/20 | 0.39 |
| ▸ | MTOR | P42345 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | PMM2 | O15305 | 1/20 | 0.39 |
| ▸ | MPI | P34949 | 1/20 | 0.39 |
| ▸ | PHOSPHO1 | Q8TCT1 | 1/20 | 0.39 |
| ▸ | KIF11 | P52732 | 1/20 | 0.39 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.39 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.39 |
| ▸ | BRD4 | O60885 | 1/20 | 0.39 |
| ▸ | TAF1 | P21675 | 1/20 | 0.39 |
| ▸ | SMARCA2 | P51531 | 1/20 | 0.39 |
| ▸ | SMARCA4 | P51532 | 1/20 | 0.39 |
| ▸ | BRPF1 | P55201 | 1/20 | 0.39 |
| ▸ | EP300 | Q09472 | 1/20 | 0.39 |
| ▸ | PBRM1 | Q86U86 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL16719359 | 0.85 | PTGDR2 (0.54) | PTGDR2ERN1NPSR1ACACBMTOR | |
| SCHEMBL30784948 | 0.81 | GSK3B (0.56) | PTGDR2ERN1MEN1KMT2AALDH1A1 | |
| SCHEMBL3813604 | 0.81 | GSK3B (0.56) | PTGDR2ERN1MEN1KMT2AALDH1A1 | |
| SCHEMBL29488328 | 0.80 | CA12 (0.48) | MEN1KMT2AALDH1A1HPGDSMN1; SMN2 | |
| SCHEMBL12724811 | 0.80 | ACACB (0.50) | ACACBMEN1KMT2ACREBBPALDH1A1 | |
| SCHEMBL27974625 | 0.80 | CA12 (0.48) | MEN1KMT2AALDH1A1HPGDSMN1; SMN2 | |
| SCHEMBL7406706 | 0.79 | MEN1 (0.55) | ERN1MEN1KMT2APMM2MPI | |
| SCHEMBL18946169 | 0.79 | GRM5 (0.55) | MEN1KMT2A | |
| SCHEMBL13891405 | 0.78 | ALDH1A1 (0.52) | PTGDR2ERN1NPSR1ACACBMTOR | |
| SCHEMBL4672150 | 0.76 | ALDH1A1 (0.51) | MEN1KMT2AALDH1A1SMN1; SMN2 |
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-106496209-B | Compounds useful as inhibitors of ATR kinase | 沃泰克斯药物股份有限公司 | 2020-06-30 | — | — | CN | disclosed |
| CN-106496210-B | Compounds useful as inhibitors of ATR kinase | 沃泰克斯药物股份有限公司 | 2020-06-09 | — | — | CN | disclosed |
| CN-106518856-B | Compounds useful as inhibitors of ATR kinase | 沃泰克斯药物股份有限公司 | 2020-04-28 | — | — | CN | disclosed |