Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | NAAA | Q02083 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL10450677 | 1.00 | CYP1A2 (0.42) | CYP1A2LMNAMAPK1HTTMAPT | |
| SCHEMBL10450678 | 1.00 | CYP1A2 (0.42) | CYP1A2LMNAMAPK1HTTMAPT | |
| SCHEMBL10449279 | 1.00 | CYP1A2 (0.42) | CYP1A2LMNAMAPK1HTTMAPT | |
| SCHEMBL10450367 | 0.95 | CYP1A2 (0.41) | CYP1A2LMNAMAPK1HTTMAPT | |
| SCHEMBL10450672 | 0.95 | CYP1A2 (0.41) | CYP1A2LMNAMAPK1HTTMAPT | |
| SCHEMBL10450365 | 0.95 | CYP1A2 (0.41) | CYP1A2LMNAMAPK1HTTMAPT | |
| SCHEMBL10450673 | 0.95 | CYP1A2 (0.41) | CYP1A2LMNAMAPK1HTTMAPT | |
| SCHEMBL10451096 | 0.95 | CYP1A2 (0.37) | CYP1A2HTT | |
| SCHEMBL10449476 | 0.95 | CYP1A2 (0.37) | CYP1A2HTT | |
| SCHEMBL10449478 | 0.95 | CYP1A2 (0.37) | CYP1A2HTT |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4943384-A | LIQUID CRYSTALS | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1990-07-24 | — | — | US | disclosed |
| EP-0216880-B1 | CYCLOHEXANE DERIVATIVES | MERCK PATENT GmbH (DE) | 1988-11-02 | — | — | EP | disclosed |