Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO1 | P15559 | 7/20 | 0.79 |
| ▸ | VKORC1 | Q9BQB6 | 8/20 | 0.71 |
| ▸ | MEN1 | O00255 | 3/20 | 0.68 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.68 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.68 |
| ▸ | LMNA | P02545 | 2/20 | 0.68 |
| ▸ | TP53 | P04637 | 2/20 | 0.68 |
| ▸ | TSHR | P16473 | 2/20 | 0.68 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.68 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.68 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.68 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.68 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.68 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.68 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.68 |
| ▸ | PCSK7 | Q16549 | 1/20 | 0.68 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.68 |
| ▸ | NPC1 | O15118 | 1/20 | 0.57 |
| ▸ | RAB9A | P51151 | 1/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| SCHEMBL1649892 | 1.00 | NQO1 (0.79) | NQO1VKORC1MEN1KMT2AALDH1A1 | |
| Benzoic Acid SCHEMBL27687937 | 0.94 | NQO1 (0.73) | NQO1VKORC1MEN1KMT2AALDH1A1 | |
| SCHEMBL1648186 | 0.89 | NQO1 (1.00) | NQO1VKORC1MEN1KMT2AALDH1A1 | |
| SCHEMBL13498415 | 0.88 | NQO1 (0.72) | NQO1VKORC1MEN1KMT2AALDH1A1 | |
| SCHEMBL1649888 | 0.88 | NQO1 (0.78) | NQO1VKORC1MEN1KMT2AALDH1A1 | |
| SCHEMBL1648171 | 0.86 | NQO1 (0.79) | NQO1VKORC1MEN1KMT2AALDH1A1 | |
| SCHEMBL1648127 | 0.86 | NQO1 (0.83) | NQO1VKORC1MEN1KMT2AALDH1A1 | |
| SCHEMBL4958234 | 0.86 | NQO1 (0.73) | NQO1VKORC1MEN1KMT2AALDH1A1 | |
| SCHEMBL1648030 | 0.85 | NQO1 (0.68) | NQO1VKORC1MEN1KMT2AALDH1A1 | |
| SCHEMBL1648184 | 0.85 | VKORC1 (0.72) | NQO1VKORC1MEN1KMT2AALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114524791-B | Preparation method of ticagrelor | 江苏慧聚药业股份有限公司 | 2024-01-26 | — | — | CN | disclosed |
| CN-114524791-A | Preparation method of ticagrelin | 江苏慧聚药业股份有限公司 | 2022-05-24 | — | — | CN | disclosed |