Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AR | P10275 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | PRKCA | P17252 | 4/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.32 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.32 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.32 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.32 |
| ▸ | PGR | P06401 | 1/20 | 0.32 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.32 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.32 |
| ▸ | HTR1A | P08908 | 1/20 | 0.32 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.32 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.32 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.32 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.32 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.32 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL9828135 | 0.91 | AR (0.42) | ARTDP1ALDH1A1LMNAHSD17B10 | |
| SCHEMBL9827309 | 0.90 | AR (0.37) | ARTDP1ALDH1A1LMNAHSD17B10 | |
| SCHEMBL2466001 | 0.79 | TDP1 (0.42) | ARTDP1ALDH1A1LMNAHSD17B10 | |
| SCHEMBL12582664 | 0.79 | ALDH1A1 (0.52) | ARTDP1ALDH1A1LMNAHSD17B10 | |
| SCHEMBL9170510 | 0.77 | TDP1 (0.41) | ARTDP1ALDH1A1LMNAHSD17B10 | |
| SCHEMBL2562190 | 0.77 | AR (0.41) | ARTDP1ALDH1A1LMNAHSD17B10 | |
| SCHEMBL2611104 | 0.76 | ALDH1A1 (0.46) | ARTDP1ALDH1A1LMNAHSD17B10 | |
| SCHEMBL14040213 | 0.76 | TDP1 (0.39) | ARTDP1ALDH1A1LMNAHSD17B10 | |
| SCHEMBL4282945 | 0.76 | AR (0.57) | ARTDP1ALDH1A1LMNAHSD17B10 | |
| Triacetin SCHEMBL19859036 | 0.76 | AR (0.50) | ARTDP1ALDH1A1LMNAHSD17B10 |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0452680-B1 | Substituted purines, process for their preparation and their use as antiviral agents | HOECHST AG (DE) | 1996-11-06 | — | — | EP | disclosed |
| EP-0452680-A1 | Substituted purines, process for their preparation and their use as antiviral agents | HOECHST AKTIENGESELLSCHAFT (DE) | 1991-10-23 | — | — | EP | disclosed |
| US-4897479-A | VIRICIDES FOR HERPES SIMPLEX | MERCK & CO., INC. (US) | 1990-01-30 | — | — | US | disclosed |
| EP-0138656-B1 | CYCLIC PYROPHOSPHATES OF PURINE AND PYRIMIDINE ACYCLONUCLEOSIDES, THEIR PREPARATION AND THEIR APPLICATION IN ANTI-VIRAL COMPOSITIONS | MERCK & CO. INC. (US) | 1989-09-27 | — | — | EP | disclosed |
| US-4816447-A | HERPES VIRUS | MERCK & CO., INC. (US) | 1989-03-28 | — | — | US | disclosed |
| EP-0074306-B1 | ANTI-VIRAL GUANINE DERIVATIVES | MERCK & CO. INC. (US) | 1988-06-01 | — | — | EP | disclosed |
| US-4670424-A | Cyclic pyrophosphates of purine and pyrimidine acyclonucleosides | MERCK & CO., INC. (US) | 1987-06-02 | — | — | US | disclosed |
| EP-0165164-A1 | Anti-viral compounds, their preparation and anti-viral compositions | MERCK & CO. INC. (US) | 1985-12-18 | — | — | EP | disclosed |
| EP-0138683-A2 | Purine derivatives, their application in anti-viral compositions | MERCK & CO. INC. (US) | 1985-04-24 | — | — | EP | disclosed |
| EP-0138656-A1 | Cyclic pyrophosphates of purine and pyrimidine acyclonucleosides, their preparation and their application in anti-viral compositions | MERCK & CO. INC. (US) | 1985-04-24 | — | — | EP | disclosed |
| EP-0074306-A2 | Anti-viral guanine derivatives | MERCK & CO. INC. (US) | 1983-03-16 | — | — | EP | disclosed |