Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | CASP1 | P29466 | 1/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.52 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.50 |
| ▸ | PDE7B | Q9NP56 | 1/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | RHEB | Q15382 | 3/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 2/20 | 0.47 |
| ▸ | CA2 | P00918 | 2/20 | 0.47 |
| ▸ | CA12 | O43570 | 1/20 | 0.47 |
| ▸ | CA3 | P07451 | 1/20 | 0.47 |
| ▸ | CA4 | P22748 | 1/20 | 0.47 |
| ▸ | CA6 | P23280 | 1/20 | 0.47 |
| ▸ | CA7 | P43166 | 1/20 | 0.47 |
| ▸ | CA9 | Q16790 | 1/20 | 0.47 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.47 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL11706200 | 0.88 | PDE7A (0.49) | TSHRCASP1SMN1; SMN2PDE7APDE7B | |
| SCHEMBL11705929 | 0.87 | PDE7A (0.48) | TSHRCASP1SMN1; SMN2PDE7APDE7B | |
| SCHEMBL4436373 | 0.86 | ALDH1A1 (0.56) | TSHRCASP1SMN1; SMN2ALDH1A1TP53 | |
| SCHEMBL11573648 | 0.85 | RHEB (0.56) | TSHRCASP1SMN1; SMN2RHEBALDH1A1 | |
| SCHEMBL11760302 | 0.85 | GRIK1 (0.49) | TSHRCASP1SMN1; SMN2RHEBALDH1A1 | |
| SCHEMBL9323068 | 0.83 | ABL1 (0.53) | SMN1; SMN2PDE7APDE7BL3MBTL1MAPK1 | |
| SCHEMBL13627449 | 0.82 | SIRT1 (0.49) | ALDH1A1TP53CA1CA2CA12 | |
| SCHEMBL16527613 | 0.82 | MEN1 (0.53) | TSHRCASP1SMN1; SMN2ALDH1A1POLB | |
| SCHEMBL6781026 | 0.81 | NPC1 (0.56) | L3MBTL1RHEBALDH1A1CA1CA2 | |
| SCHEMBL7024783 | 0.81 | KDM4E (0.54) | ALDH1A1CA1CA2CA12CA3 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2006060774-A2 | AGENTS THAT INHIBIT FLAVIVIRUS REPLICATION AND USES THEREOF | BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) | 2006-06-08 | — | — | WO | disclosed |
| EP-0207350-B1 | PROCESS FOR PREPARING DIARYL SULPHIDES | CASSELLA Aktiengesellschaft (DE) | 1989-01-18 | — | — | EP | disclosed |
| US-4686303-A | Process for the preparation of diaryl sulphides | CASSELLA AKTIENGESELLSCHAFT (DE) | 1987-08-11 | — | — | US | disclosed |
| EP-0207350-A1 | Process for preparing diaryl sulphides | CASSELLA Aktiengesellschaft (DE) | 1987-01-07 | — | — | EP | disclosed |
| US-4022774-A | DIURETICS | E. R. SQUIBB & SONS, INC. (US) | 1977-05-10 | — | — | US | disclosed |
| US-3957769-A | DIURETICS, CENTRAL NERVOUS SYSTEM DEPRESSANTS | E. R. SQUIBB & SONS, INC. (US) | 1976-05-18 | — | — | US | disclosed |