Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP4F2 | P78329 | 1/20 | 0.37 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.37 |
| ▸ | HPD | P32754 | 1/20 | 0.34 |
| ▸ | SPHK1 | Q9NYA1 | 2/20 | 0.34 |
| ▸ | SPHK2 | Q9NRA0 | 1/20 | 0.34 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.34 |
| ▸ | KDM1A | O60341 | 2/20 | 0.33 |
| ▸ | ADAM17 | P78536 | 3/20 | 0.33 |
| ▸ | NAAA | Q02083 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | FAAH | O00519 | 1/20 | 0.32 |
| ▸ | CNR2 | P34972 | 1/20 | 0.32 |
| ▸ | MAOB | P27338 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL5880928 | 0.90 | CYP4F2 (0.43) | CYP4F2CYP4A11HPDSPHK1SPHK2 | |
| SCHEMBL8010397 | 0.90 | CYP4F2 (0.43) | CYP4F2CYP4A11HPDSPHK1SPHK2 | |
| SCHEMBL5880767 | 0.79 | ALDH1A1 (0.40) | POLB | |
| SCHEMBL5880887 | 0.77 | OPRM1 (0.40) | — | |
| SCHEMBL5881112 | 0.77 | OPRM1 (0.40) | — | |
| SCHEMBL5880925 | 0.76 | NPC1 (0.45) | — | |
| Butopyronoxyl SCHEMBL8007879 | 0.75 | MAOB (0.35) | ADAM17POLBCNR2MAOB | |
| SCHEMBL5881129 | 0.75 | FFAR1 (0.38) | FFAR1POLBFAAH | |
| SCHEMBL8008695 | 0.74 | CYP4F2 (0.49) | CYP4F2CYP4A11HPDFFAR1NAAA | |
| SCHEMBL5881125 | 0.71 | S1PR1 (0.40) | FFAR1ADAM17MAOB |
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 |