Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL969789 | 0.83 | — | — | |
| Pyridine SCHEMBL29112706 | 0.71 | TSHR (0.53) | TSHRNAPRTTDP1 | |
| Pyridine SCHEMBL28227915 | 0.71 | TSHR (0.53) | TSHRNAPRTTDP1 | |
| Pyridine SCHEMBL28737671 | 0.70 | — | — | |
| Pyridine SCHEMBL27382679 | 0.70 | TSHR (0.45) | TSHRNAPRTTDP1 | |
| Pyridine SCHEMBL28177706 | 0.70 | TSHR (0.45) | TSHRNAPRTTDP1 | |
| Pyridine SCHEMBL28242595 | 0.70 | TSHR (0.45) | TSHRNAPRTTDP1 | |
| Pyridine SCHEMBL28243085 | 0.70 | TSHR (0.45) | TSHRNAPRTTDP1 | |
| Pyridine SCHEMBL29216734 | 0.69 | TSHR (0.50) | TSHRNAPRTTDP1 | |
| Pyridine SCHEMBL27414302 | 0.69 | TSHR (0.50) | TSHRNAPRTTDP1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105254624-B | Isothizole derivatives PIM kinase inhibitor and preparation method thereof and the application in pharmacy | 上海吉铠医药科技有限公司 | 2019-08-09 | — | — | CN | claimed |
| CN-109843858-A | Certain chemical entities, composition and method | 润新生物公司 | 2019-06-04 | — | — | CN | claimed |
| CN-109843858-A | Certain chemical entities, composition and method | 润新生物公司 | 2019-06-04 | — | — | CN | disclosed |
| CN-104334554-B | It is used as 5 amino [Isosorbide-5-Nitrae] thiazide of BACE1 inhibitor | 霍夫曼-拉罗奇有限公司 | 2017-10-31 | — | — | CN | disclosed |