Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | OPRK1 | P41145 | 3/20 | 0.35 |
| ▸ | METAP1 | P53582 | 1/20 | 0.34 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL5148322 | 0.82 | CYP1A2 (0.56) | CYP1A2SIGMAR1MAPTOPRK1METAP1 | |
| SCHEMBL6933779 | 0.82 | CYP1A2 (0.50) | CYP1A2SIGMAR1MAPTOPRK1METAP1 | |
| SCHEMBL2859393 | 0.80 | CYP1A2 (0.48) | CYP1A2SIGMAR1MAPTOPRK1METAP1 | |
| SCHEMBL30754374 | 0.80 | CYP1A2 (0.48) | CYP1A2SIGMAR1MAPTOPRK1METAP1 | |
| SCHEMBL111408 | 0.80 | CYP1A2 (0.48) | CYP1A2SIGMAR1MAPTOPRK1METAP1 | |
| SCHEMBL8455180 | 0.80 | CYP1A2 (0.59) | CYP1A2SIGMAR1MAPTOPRK1METAP1 | |
| SCHEMBL9253751 | 0.79 | CYP1A2 (0.56) | CYP1A2SIGMAR1MAPTOPRK1METAP1 | |
| SCHEMBL1524631 | 0.79 | CYP1A2 (0.56) | CYP1A2SIGMAR1MAPTOPRK1METAP1 | |
| Alcohol SCHEMBL17544758 | 0.77 | CYP1A2 (0.50) | CYP1A2SIGMAR1MAPTOPRK1METAP1 | |
| SCHEMBL28482634 | 0.77 | CYP1A2 (0.61) | CYP1A2SIGMAR1MAPT |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0144013-B1 | THIENOTHIOPHENE DERIVATIVES | MERCK PATENT GmbH (DE) | 1989-01-18 | — | — | EP | disclosed |
| US-4639328-A | LIQUID CRYSTALS | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1987-01-27 | — | — | US | disclosed |
| EP-0144013-A2 | Thienothiophene derivatives | MERCK PATENT GmbH (DE) | 1985-06-12 | — | — | EP | disclosed |