Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.65 |
| ▸ | MAPT | P10636 | 3/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.61 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.58 |
| ▸ | RAB9A | P51151 | 7/20 | 0.57 |
| ▸ | L3MBTL1 | Q9Y468 | 4/20 | 0.57 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.56 |
| ▸ | NPC1 | O15118 | 4/20 | 0.55 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.55 |
| ▸ | GLA | P06280 | 1/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.54 |
| ▸ | TP53 | P04637 | 2/20 | 0.54 |
| ▸ | TSHR | P16473 | 2/20 | 0.54 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.54 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.54 |
| ▸ | RELA | Q04206 | 2/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL4687835 | 1.00 | NPSR1 (0.65) | NPSR1MAPTALDH1A1PTK2RAB9A | |
| Hydrochloric Acid SCHEMBL616304 | 0.99 | NPSR1 (0.64) | NPSR1MAPTALDH1A1PTK2RAB9A | |
| Hydrochloric Acid SCHEMBL30054295 | 0.99 | NPSR1 (0.64) | NPSR1MAPTALDH1A1PTK2RAB9A | |
| SCHEMBL18869281 | 0.86 | NPSR1 (0.62) | NPSR1MAPTALDH1A1PTK2RAB9A | |
| SCHEMBL10046419 | 0.85 | RAB9A (0.70) | MAPTALDH1A1RAB9ANPC1SMN1; SMN2 | |
| SCHEMBL1503835 | 0.84 | PTK2 (0.65) | MAPTALDH1A1PTK2RAB9AL3MBTL1 | |
| SCHEMBL30481206 | 0.84 | PTK2 (0.65) | MAPTALDH1A1PTK2RAB9AL3MBTL1 | |
| SCHEMBL11732416 | 0.84 | MAPT (0.63) | MAPTALDH1A1RAB9AL3MBTL1TDP1 | |
| Hydrochloric Acid SCHEMBL30722380 | 0.83 | PTK2 (0.63) | MAPTALDH1A1PTK2RAB9AL3MBTL1 | |
| Hydrochloric Acid SCHEMBL26987783 | 0.83 | PTK2 (0.63) | MAPTALDH1A1PTK2RAB9AL3MBTL1 |
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-117820213-A | Preparation method of quality analysis reference substance for Ai Duosha class toluenesulfonic acid | 湖南方盛制药股份有限公司 | 2024-04-05 | — | — | CN | disclosed |
| WO-2022103239-A1 | PREPARATION METHOD FOR EDOXABAN TOSYLATE OR HYDRATE THEREOF | 보령제약 주식회사 | 2022-05-19 | — | — | WO | disclosed |