Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TLR4 | O00206 | 7/20 | 0.64 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL11836705 | 0.81 | TLR4 (0.70) | TLR4 | |
| SCHEMBL15032678 | 0.77 | MAPK1 (0.44) | TLR4MAPK1NPSR1 | |
| SCHEMBL7264951 | 0.74 | TLR4 (0.66) | TLR4MAPK1 | |
| SCHEMBL28078648 | 0.74 | TLR4 (0.61) | TLR4MAPK1ALDH1A1ALOX15 | |
| SCHEMBL171063 | 0.73 | TLR4 (0.55) | TLR4KDM4EALDH1A1ALOX15ALOX12 | |
| SCHEMBL14441739 | 0.72 | TLR4 (0.36) | TLR4NPSR1 | |
| SCHEMBL416854 | 0.70 | TLR4 (0.55) | TLR4ALDH1A1ALOX15 | |
| SCHEMBL8090061 | 0.69 | TLR4 (0.54) | TLR4MAPK1 | |
| SCHEMBL7963299 | 0.68 | ALDH1A1 (0.34) | TLR4MAPK1KDM4EALDH1A1POLB | |
| SCHEMBL10192815 | 0.67 | ALDH1A1 (0.42) | MAPK1KDM4EALDH1A1POLBNPSR1 |
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-4845228-A | INTERMEDIATES FOR CARDIOTONIC AGENTS | MITSUI TOATSU CHEMICALS, INC. (JP) | 1989-07-04 | — | — | US | disclosed |
| US-4824952-A | CARDIOTONIC AGENTS | MITSUI TOATSU CHEMICALS, INC. (JP) | 1989-04-25 | — | — | US | disclosed |