Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LTA4H | P09960 | 1/20 | 0.37 |
| ▸ | TLR4 | O00206 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.34 |
| ▸ | MEN1 | O00255 | 5/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.34 |
| ▸ | HTT | P42858 | 3/20 | 0.34 |
| ▸ | MAPT | P10636 | 3/20 | 0.34 |
| ▸ | GAA | P10253 | 2/20 | 0.34 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CA7 | P43166 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | USP2 | O75604 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | CASP1 | P29466 | 1/20 | 0.34 |
| ▸ | CASP7 | P55210 | 1/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL16575423 | 0.83 | TLR4 (0.33) | LTA4HTLR4KMT2AMEN1ALDH1A1 | |
| SCHEMBL13960183 | 0.83 | TLR4 (0.33) | LTA4HTLR4KMT2AMEN1ALDH1A1 | |
| SCHEMBL11351069 | 0.83 | KMT2A (0.34) | LTA4HTLR4KMT2AMEN1ALDH1A1 | |
| SCHEMBL737955 | 0.81 | KMT2A (0.37) | LTA4HTLR4KMT2AMEN1ALDH1A1 | |
| SCHEMBL11312550 | 0.81 | KMT2A (0.36) | LTA4HTLR4KMT2AMEN1ALDH1A1 | |
| SCHEMBL16575415 | 0.81 | TLR4 (0.32) | LTA4HTLR4KMT2AMEN1ALDH1A1 | |
| SCHEMBL1659847 | 0.81 | TLR4 (0.30) | TLR4 | |
| SCHEMBL10692851 | 0.79 | LTA4H (0.46) | LTA4HTLR4GAACA12CA1 | |
| SCHEMBL13990834 | 0.78 | TLR4 (0.32) | LTA4HTLR4 | |
| SCHEMBL28742942 | 0.78 | ALDH1A1 (0.36) | LTA4HTLR4KMT2AMEN1ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4734522-A | LIQUID CRYSTALS | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1988-03-29 | — | — | US | disclosed |
| US-4578210-A | Carbocyclic six-membered ring compounds | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1986-03-25 | — | — | US | disclosed |
| EP-0134576-A2 | Carbocyclic six-membered ring compounds | MERCK PATENT GmbH (DE) | 1985-03-20 | — | — | EP | disclosed |