Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TNF | P01375 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | PDE4A | P27815 | 9/20 | 0.34 |
| ▸ | ADORA2A | P29274 | 9/20 | 0.34 |
| ▸ | PDE4B | Q07343 | 9/20 | 0.34 |
| ▸ | PDE4C | Q08493 | 9/20 | 0.34 |
| ▸ | PDE4D | Q08499 | 9/20 | 0.34 |
| ▸ | ADORA2B | P29275 | 6/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | BLM | P54132 | 1/20 | 0.34 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.32 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.32 |
| ▸ | SIRT5 | Q9NXA8 | 1/20 | 0.32 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.32 |
| ▸ | GSK3A | P49840 | 1/20 | 0.32 |
| ▸ | GSK3B | P49841 | 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 | |
|---|---|---|---|---|
| SCHEMBL8318449 | 0.86 | TNF (0.52) | TNFALDH1A1SMN1; SMN2ADORA2BCYP3A4 | |
| SCHEMBL8316287 | 0.84 | GSK3B (0.32) | TNFALDH1A1ADORA2BHSD17B10GSK3A | |
| SCHEMBL23348857 | 0.67 | L3MBTL1 (0.40) | SMN1; SMN2PDE4AADORA2APDE4BPDE4C | |
| SCHEMBL4307720 | 0.65 | GSK3B (0.39) | ALDH1A1ADORA2BCYP1A2HSD17B10GSK3A | |
| SCHEMBL331903 | 0.61 | PDE4A (0.47) | PDE4AADORA2APDE4BPDE4CPDE4D | |
| SCHEMBL6076720 | 0.58 | TDP1 (0.52) | ALDH1A1PDE4AADORA2APDE4BPDE4C | |
| SCHEMBL8314445 | 0.58 | — | — | |
| SCHEMBL13232332 | 0.58 | — | — | |
| SCHEMBL4620773 | 0.57 | GSK3B (0.38) | ALDH1A1SMN1; SMN2PDE4AADORA2APDE4B | |
| SCHEMBL1074421 | 0.57 | L3MBTL1 (0.46) | TNFALDH1A1SMN1; SMN2ADORA2BCYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0912580-A2 | 5H-PYRROLO(3',4':5,6)(1,4)DITHIINO(2,3-C)-(1,2,5)THIADIAZOLE-5,7(6H)-DIONE, COMPOSITIONS CONTAINING THEM AND THEIR USE AS ANTIMICROBIAL AND MARINE ANTIFOULING AGENTS | THE DOW CHEMICAL COMPANY (US) | 1999-05-06 | — | — | EP | claimed |
| WO-1998001452-A2 | 5H-PYRROLO(3',4':5,6)(1,4)DITHIINO(2,3-C)-(1,2,5)THIADIAZOLE-5,7(6H)-DIONE, COMPOSITIONS CONTAINING THEM AND THEIR USE AS ANTIMICROBIAL AND MARINE ANTIFOULING AGENTS | THE DOW CHEMICAL COMPANY (US) | 1998-01-15 | — | — | WO | claimed |
| US-5633219-A | 5H-pyrrolo(3',4':5,6)(1,4)dithiino(2,3-C)(1,2,5)thiadiazole-5,7(6H)-dione, compositions containing them and their use as antimicrobial and marine antifouling agents | THE DOW CHEMICAL COMPANY (US) | 1997-05-27 | — | — | US | claimed |
| EP-0912580-A2 | 5H-PYRROLO(3',4':5,6)(1,4)DITHIINO(2,3-C)-(1,2,5)THIADIAZOLE-5,7(6H)-DIONE, COMPOSITIONS CONTAINING THEM AND THEIR USE AS ANTIMICROBIAL AND MARINE ANTIFOULING AGENTS | THE DOW CHEMICAL COMPANY (US) | 1999-05-06 | — | — | EP | disclosed |
| WO-1998001452-A2 | 5H-PYRROLO(3',4':5,6)(1,4)DITHIINO(2,3-C)-(1,2,5)THIADIAZOLE-5,7(6H)-DIONE, COMPOSITIONS CONTAINING THEM AND THEIR USE AS ANTIMICROBIAL AND MARINE ANTIFOULING AGENTS | THE DOW CHEMICAL COMPANY (US) | 1998-01-15 | — | — | WO | disclosed |
| US-5633219-A | 5H-pyrrolo(3',4':5,6)(1,4)dithiino(2,3-C)(1,2,5)thiadiazole-5,7(6H)-dione, compositions containing them and their use as antimicrobial and marine antifouling agents | THE DOW CHEMICAL COMPANY (US) | 1997-05-27 | — | — | US | disclosed |