Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TLR4 | O00206 | 4/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.30 |
| ▸ | OPRL1 | P41146 | 2/20 | 0.30 |
| ▸ | PGR | P06401 | 1/20 | 0.30 |
| ▸ | AR | P10275 | 1/20 | 0.30 |
| ▸ | DAO | P14920 | 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 | |
|---|---|---|---|---|
| SCHEMBL10450145 | 1.00 | TLR4 (0.53) | TLR4CYP2C9ALDH1A1MAPTLMNA | |
| SCHEMBL10450142 | 1.00 | TLR4 (0.53) | TLR4CYP2C9ALDH1A1MAPTLMNA | |
| SCHEMBL10450726 | 0.95 | TLR4 (0.47) | TLR4CYP2C9ALDH1A1MAPTLMNA | |
| SCHEMBL10450723 | 0.95 | TLR4 (0.47) | TLR4CYP2C9ALDH1A1MAPTLMNA | |
| SCHEMBL10449775 | 0.92 | TLR4 (0.45) | TLR4CYP2C9MAPTLMNAKMT2A | |
| SCHEMBL10449771 | 0.92 | TLR4 (0.45) | TLR4CYP2C9MAPTLMNAKMT2A | |
| SCHEMBL10449774 | 0.92 | TLR4 (0.45) | TLR4CYP2C9MAPTLMNAKMT2A | |
| SCHEMBL10450733 | 0.90 | TLR4 (0.44) | TLR4ALDH1A1MAPTKMT2AMEN1 | |
| SCHEMBL10450737 | 0.90 | TLR4 (0.44) | TLR4ALDH1A1MAPTKMT2AMEN1 | |
| SCHEMBL10450736 | 0.90 | TLR4 (0.44) | TLR4ALDH1A1MAPTKMT2AMEN1 |
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 4 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 |
| EP-0216880-A1 | CYCLOHEXANE DERIVATIVES. | MERCK PATENT GMBH (DE) | 1987-04-08 | — | — | EP | disclosed |
| WO-1986005484-A1 | CYCLOHEXANE DERIVATIVES | MERCK Patent Gesellschaft mit beschränkter Haftung (DE) | 1986-09-25 | — | — | WO | disclosed |