Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.54 |
| ▸ | IDO1 | P14902 | 1/20 | 0.40 |
| ▸ | AGXT | P21549 | 1/20 | 0.39 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.39 |
| ▸ | CDK1 | P06493 | 1/20 | 0.39 |
| ▸ | CDK4 | P11802 | 1/20 | 0.39 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.39 |
| ▸ | CCND1 | P24385 | 1/20 | 0.39 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.39 |
| ▸ | MAOA | P21397 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 3/20 | 0.38 |
| ▸ | CA2 | P00918 | 3/20 | 0.38 |
| ▸ | CA9 | Q16790 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | CA7 | P43166 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL12223226 | 0.86 | TSHR (0.56) | TSHRIDO1AGXTCCNB2CDK1 | |
| SCHEMBL2532264 | 0.84 | TSHR (0.54) | TSHRIDO1AGXTCCNB2CDK1 | |
| SCHEMBL30929702 | 0.82 | TSHR (0.56) | TSHRIDO1AGXTCCNB2CDK1 | |
| SCHEMBL30425720 | 0.72 | TSHR (0.61) | TSHRIDO1AGXTCCNB2CDK1 | |
| SCHEMBL76044 | 0.72 | TSHR (0.61) | TSHRIDO1AGXTCCNB2CDK1 | |
| SCHEMBL27380 | 0.72 | TSHR (1.00) | TSHRIDO1AGXTCA1CA2 | |
| SCHEMBL5311581 | 0.72 | TSHR (1.00) | TSHRIDO1AGXTCA1CA2 | |
| Benzene SCHEMBL27997624 | 0.72 | TSHR (1.00) | TSHRIDO1AGXTCA1CA2 | |
| SCHEMBL22160794 | 0.71 | TSHR (0.58) | TSHRIDO1AGXTCCNB2CDK1 | |
| Propionaldehyde SCHEMBL9514587 | 0.71 | TSHR (0.65) | TSHRIDO1AGXTCCNB2CDK1 |
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-115304460-A | Synthesis method of decanal-1,2,2,3,3-d 5 | 深圳鼎邦生物科技有限公司 | 2022-11-08 | — | — | CN | disclosed |
| US-20100305173-A1 | HYDROXYETHYLAMINO SULFONAMIDE DERIVATIVES | CONCERT PHARMACEUTICALS, INC. (US) | 2010-12-02 | — | — | US | disclosed |
| US-20100305173-A1 | HYDROXYETHYLAMINO SULFONAMIDE DERIVATIVES | CONCERT PHARMACEUTICALS, INC. (US) | 2010-12-02 | — | — | US | disclosed |
| US-20100113589-A1 | Deuterated darunavir | CONCERT PHARMACCUTICALS, INC. (US) | 2010-05-06 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20100305173-A1 | HYDROXYETHYLAMINO SULFONAMIDE DERIVATIVES | STS, PRSS1, PRSS3 | TSHR 4797/4885IDO1 1459/4885AGXT 752/4885 |
| US-20100113589-A1 | Deuterated darunavir | SAMHD1, DUT, DNPEP | TSHR 4215/4885IDO1 1893/4885AGXT 891/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.