Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDA | P32320 | 7/20 | 0.55 |
| ▸ | OGA | O60502 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | LGALS1 | P09382 | 2/20 | 0.41 |
| ▸ | LGALS3 | P17931 | 2/20 | 0.41 |
| ▸ | LGALS9 | O00182 | 1/20 | 0.41 |
| ▸ | LGALS8 | O00214 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL15297983 | 1.00 | CDA (0.55) | CDAOGAMAPTLGALS1LGALS3 | |
| SCHEMBL11707269 | 0.90 | CDA (0.55) | CDAMAPTLGALS1LGALS3LGALS9 | |
| SCHEMBL19856471 | 0.82 | CDA (0.60) | CDAMAPT | |
| SCHEMBL19856460 | 0.82 | CDA (0.60) | CDAMAPT | |
| SCHEMBL18851813 | 0.82 | CDA (0.60) | CDAMAPT | |
| SCHEMBL17695244 | 0.79 | CDA (0.41) | CDA | |
| SCHEMBL11114311 | 0.75 | CDA (0.46) | CDALGALS1LGALS3LGALS9LGALS8 | |
| SCHEMBL31017612 | 0.74 | CDA (0.58) | CDAMAPT | |
| SCHEMBL16789213 | 0.70 | LGALS3 (0.64) | LGALS1LGALS3LGALS9LGALS8 | |
| SCHEMBL6976489 | 0.70 | LGALS3 (0.64) | LGALS1LGALS3LGALS9LGALS8 |
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-117143170-A | Intestinal targeting pentacyclic triterpene TGR5 receptor agonist, and preparation method and application thereof | 中国科学院上海药物研究所 | 2023-12-01 | — | — | CN | claimed |
| WO-2023226904-A1 | INTESTINAL TRACT TARGETED PENTACYCLIC TRITERPENE TGR5 RECEPTOR AGONIST, PREPARATION METHOD THEREFOR AND USE THEREOF | 中国科学院上海药物研究所 | 2023-11-30 | — | — | WO | claimed |
| CN-117143170-A | Intestinal targeting pentacyclic triterpene TGR5 receptor agonist, and preparation method and application thereof | 中国科学院上海药物研究所 | 2023-12-01 | — | — | CN | disclosed |
| WO-2023226904-A1 | INTESTINAL TRACT TARGETED PENTACYCLIC TRITERPENE TGR5 RECEPTOR AGONIST, PREPARATION METHOD THEREFOR AND USE THEREOF | 中国科学院上海药物研究所 | 2023-11-30 | — | — | WO | disclosed |
| US-4218487-A | AMINO SUGAR, AMINO ACID, POLYOL OR WATER | GIVAUDAN CORPORATION (US) | 1980-08-19 | — | — | US | disclosed |