Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | NAAA | Q02083 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 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 | |
|---|---|---|---|---|
| SCHEMBL10450942 | 1.00 | CYP1A2 (0.43) | CYP1A2LMNAMAPK1HTTNAAA | |
| SCHEMBL10450503 | 1.00 | CYP1A2 (0.43) | CYP1A2LMNAMAPK1HTTNAAA | |
| SCHEMBL10450943 | 1.00 | CYP1A2 (0.43) | CYP1A2LMNAMAPK1HTTNAAA | |
| SCHEMBL10450571 | 0.95 | CYP1A2 (0.38) | CYP1A2LMNAMAPK1HTTNAAA | |
| SCHEMBL10450572 | 0.95 | CYP1A2 (0.38) | CYP1A2LMNAMAPK1HTTNAAA | |
| SCHEMBL10450557 | 0.95 | CYP1A2 (0.38) | CYP1A2LMNAMAPK1HTTNAAA | |
| SCHEMBL10450559 | 0.95 | CYP1A2 (0.38) | CYP1A2LMNAMAPK1HTTNAAA | |
| SCHEMBL10449757 | 0.90 | TLR4 (0.36) | — | |
| SCHEMBL10449756 | 0.90 | TLR4 (0.36) | — | |
| SCHEMBL10451324 | 0.90 | TLR4 (0.36) | — |
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 |