Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | CA1 | P00915 | 4/20 | 0.46 |
| ▸ | CA2 | P00918 | 2/20 | 0.46 |
| ▸ | CA7 | P43166 | 2/20 | 0.46 |
| ▸ | CA9 | Q16790 | 2/20 | 0.46 |
| ▸ | TACR1 | P25103 | 5/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| SCHEMBL10581265 | 1.00 | TSHR (0.48) | TSHRCA1CA2CA7CA9 | |
| SCHEMBL4535810 | 0.91 | TSHR (0.58) | TSHRCA1CA2CA7CA9 | |
| SCHEMBL4088276 | 0.89 | TSHR (0.52) | TSHRCA1CA2CA7CA9 | |
| SCHEMBL9575753 | 0.85 | TSHR (0.52) | TSHRCA1CA2CA7CA9 | |
| SCHEMBL14125272 | 0.82 | TSHR (0.48) | TSHRCA1CA2CA7CA9 | |
| SCHEMBL6840474 | 0.82 | TSHR (0.48) | TSHRCA1CA2CA7CA9 | |
| SCHEMBL9575541 | 0.81 | TSHR (0.56) | TSHRCA1CA2CA7CA9 | |
| SCHEMBL19068463 | 0.81 | CA1 (0.49) | TSHRCA1CA2CA7CA9 | |
| SCHEMBL14814507 | 0.80 | TSHR (0.50) | TSHRCA1CA2CA7CA9 | |
| SCHEMBL828589 | 0.80 | CA1 (0.51) | TSHRCA1CA2CA7CA9 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0452680-A1 | Substituted purines, process for their preparation and their use as antiviral agents | HOECHST AKTIENGESELLSCHAFT (DE) | 1991-10-23 | — | — | EP | disclosed |
| US-4880820-A | VIRICIDES, HERPES VIRUS | MERCK & CO., INC. (US) | 1989-11-14 | — | — | US | disclosed |
| US-4801710-A | Regioselective synthesis of 9-substituted purine acyclonucleoside derivatives | MERCK & CO., INC. (US) | 1989-01-31 | — | — | US | disclosed |
| EP-0130126-B1 | (S)-9-(2,3-DIHYDROXY-1-PROPOXYMETHYL) GUANINE AND ITS ACYL DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION AS ANTIHERPETIC AGENTS | MERCK & CO. INC. (US) | 1987-08-26 | — | — | EP | disclosed |
| EP-0130126-A1 | (S)-9-(2,3-dihydroxy-1-propoxymethyl) guanine and its acyl derivatives, their preparation and their application as antiherpetic agents | MERCK & CO. INC. (US) | 1985-01-02 | — | — | EP | disclosed |