Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA3 | P07451 | 1/20 | 0.35 |
| ▸ | CA4 | P22748 | 1/20 | 0.35 |
| ▸ | CA6 | P23280 | 1/20 | 0.35 |
| ▸ | CA5A | P35218 | 1/20 | 0.35 |
| ▸ | CA7 | P43166 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.35 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.35 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.35 |
| ▸ | JAK2 | O60674 | 1/20 | 0.33 |
| ▸ | JAK1 | P23458 | 1/20 | 0.33 |
| ▸ | TYK2 | P29597 | 1/20 | 0.33 |
| ▸ | JAK3 | P52333 | 1/20 | 0.33 |
| ▸ | HTR2C | P28335 | 1/20 | 0.30 |
| ▸ | HTR2B | P41595 | 1/20 | 0.30 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL18205585 | 0.83 | LMNA (0.31) | LMNACA12CA1CA2CA3 | |
| SCHEMBL25131961 | 0.80 | GNAI3 (0.37) | — | |
| SCHEMBL25653283 | 0.80 | GNAI3 (0.37) | — | |
| SCHEMBL19003544 | 0.79 | GNAI3 (0.33) | — | |
| SCHEMBL761343 | 0.78 | MAPT (0.33) | — | |
| SCHEMBL8141548 | 0.74 | CHRM5 (0.30) | — | |
| SCHEMBL25088955 | 0.74 | TOP2A (0.30) | — | |
| SCHEMBL25959958 | 0.74 | — | — | |
| SCHEMBL31027432 | 0.74 | CHRM5 (0.31) | — | |
| SCHEMBL22636281 | 0.74 | POLB (0.33) | LMNACA12CA1CA2CA3 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113272295-A | Piperazinone-containing quinazoline dione compound, preparation method, pharmaceutical composition and application thereof | 中国医学科学院药物研究所 | 2021-08-17 | — | — | CN | disclosed |
| CN-107098886-B | Prazinone-containing quinazolinone PARP-1/2 inhibitor and preparation method, pharmaceutical composition and application thereof | 中国医学科学院药物研究所 | 2020-07-14 | — | — | CN | disclosed |
| CN-111269216-A | Piperazinone-containing quinazoline dione compound, preparation method, pharmaceutical composition and application thereof | 中国医学科学院药物研究所 | 2020-06-12 | — | — | CN | disclosed |
| WO-2020114455-A1 | QUINAZOLINE DIONE SALT COMPOUND CONTAINING PIPERAZINONE, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF AND USE THEREOF | 中国医学科学院药物研究所 | 2020-06-11 | — | — | WO | disclosed |
| WO-2011041713-A2 | PIPERAZINYL ANTIVIRAL AGENTS | GLAXOSMITHKLINE LLC (US) | 2011-04-07 | — | — | WO | disclosed |