Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LTA4H | P09960 | 1/20 | 0.42 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.42 |
| ▸ | BCHE | P06276 | 2/20 | 0.41 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.41 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.41 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.39 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8345206 | 0.85 | ESR1 (0.41) | — | |
| SCHEMBL6702703 | 0.83 | MLNR (0.39) | — | |
| SCHEMBL8008695 | 0.82 | CYP4F2 (0.49) | BCHEFFAR1MAOB | |
| SCHEMBL8008899 | 0.82 | FFAR1 (0.43) | LTA4HEPHX2BCHEFFAR1FFAR4 | |
| SCHEMBL8010418 | 0.78 | MTNR1A (0.48) | BCHE | |
| SCHEMBL8010689 | 0.76 | ESR1 (0.38) | LTA4H | |
| SCHEMBL8014766 | 0.75 | ALDH1A1 (0.37) | — | |
| SCHEMBL7890688 | 0.73 | NPC1 (0.38) | — | |
| SCHEMBL8008763 | 0.72 | DRD2 (0.41) | — | |
| SCHEMBL7406212 | 0.72 | DAO (0.35) | — |
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-6046355-A | TOLUENE-4-THIOSULFONIC ACID S-ESTERS AS CHEMICAL INTERMEDIATES FOR VIRICIDES AND ASPARTYL PROTEASE INHIBITORS; AIDS | WARNER-LAMBERT COMPANY (US) | 2000-04-04 | — | — | US | disclosed |
| EP-0935597-A2 | DIHYDROPYRONES WITH IMPROVED ANTIVIRAL ACTIVITY | WARNER-LAMBERT COMPANY (US) | 1999-08-18 | — | — | EP | disclosed |
| WO-1998019997-A2 | DIHYDROPYRONES WITH IMPROVED ANTIVIRAL ACTIVITY | WARNER-LAMBERT COMPANY (US) | 1998-05-14 | — | — | WO | disclosed |