Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 7/20 | 0.52 |
| ▸ | CA1 | P00915 | 4/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.43 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.43 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.43 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.43 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.43 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.43 |
| ▸ | HTR2A | P28223 | 1/20 | 0.43 |
| ▸ | HTR2C | P28335 | 1/20 | 0.43 |
| ▸ | HRH1 | P35367 | 1/20 | 0.43 |
| ▸ | DRD3 | P35462 | 1/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 4/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.41 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL28176209 | 0.94 | CA2 (0.46) | CA2CA1MAPK1HDAC1HDAC2 | |
| SCHEMBL29080572 | 0.89 | CA2 (0.43) | CA2CA1MAPK1HDAC1HDAC2 | |
| SCHEMBL6899453 | 0.86 | CA2 (0.66) | CA2CA1MAPK1HDAC1HDAC2 | |
| SCHEMBL20370240 | 0.85 | CA2 (0.48) | CA2CA1MAPK1HDAC1HDAC2 | |
| SCHEMBL3857579 | 0.83 | CA2 (0.52) | CA2CA1HDAC1HDAC2TDP1 | |
| SCHEMBL358441 | 0.82 | HDAC1 (0.55) | CA2CA1MAPK1HDAC1HDAC2 | |
| SCHEMBL28551220 | 0.82 | CA2 (0.60) | CA2CA1MAPK1NPSR1SLC1A2 | |
| SCHEMBL28609756 | 0.81 | TSHR (0.49) | CA2CA1MAPK1TDP1TSHR | |
| SCHEMBL7913384 | 0.81 | CA2 (0.53) | CA2CA1MAPK1HDAC1HDAC2 | |
| SCHEMBL8678597 | 0.81 | CA2 (0.53) | CA2CA1MAPK1TDP1TSHR |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116813648-A | Process for preparing 2- (2, 8-dimethylimidazo [1,2-B ] pyridazin-6-yl) pyrido [1,2-a ] pyrimidin-4-one derivatives | 豪夫迈·罗氏有限公司 | 2023-09-29 | — | — | CN | claimed |
| CN-111132981-A | Process for the preparation of 7- (4, 7-diazaspiro [2.5] oct-7-yl) -2- (2, 8-dimethylimidazo [1,2-B ] pyridazin-6-yl) pyrido [1,2-a ] pyrimidin-4-one derivatives | 豪夫迈·罗氏有限公司 | 2020-05-08 | — | — | CN | claimed |
| CN-111132981-B | Process for preparing pyrido [1,2-A ] pyrimidin-4-one derivatives | 豪夫迈·罗氏有限公司 | 2023-10-31 | — | — | CN | disclosed |
| CN-116813648-A | Process for preparing 2- (2, 8-dimethylimidazo [1,2-B ] pyridazin-6-yl) pyrido [1,2-a ] pyrimidin-4-one derivatives | 豪夫迈·罗氏有限公司 | 2023-09-29 | — | — | CN | disclosed |
| CN-113039188-A | Novel pyrido [1,2-a ] pyrimidin-4-one derivatives, formulations thereof and methods of making | 豪夫迈·罗氏有限公司 | 2021-06-25 | — | — | CN | disclosed |
| CN-111132981-A | Process for the preparation of 7- (4, 7-diazaspiro [2.5] oct-7-yl) -2- (2, 8-dimethylimidazo [1,2-B ] pyridazin-6-yl) pyrido [1,2-a ] pyrimidin-4-one derivatives | 豪夫迈·罗氏有限公司 | 2020-05-08 | — | — | CN | disclosed |