Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP4F2 | P78329 | 1/20 | 0.43 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.43 |
| ▸ | SPHK1 | Q9NYA1 | 2/20 | 0.40 |
| ▸ | SPHK2 | Q9NRA0 | 1/20 | 0.40 |
| ▸ | HPD | P32754 | 1/20 | 0.39 |
| ▸ | NAAA | Q02083 | 1/20 | 0.38 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | MAOB | P27338 | 1/20 | 0.37 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.37 |
| ▸ | BCHE | P06276 | 1/20 | 0.37 |
| ▸ | MGLL | Q99685 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | CA5A | P35218 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
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 | 1.00 | CYP4F2 (0.43) | CYP4F2CYP4A11SPHK1SPHK2HPD | |
| SCHEMBL8007883 | 0.90 | CYP4F2 (0.37) | CYP4F2CYP4A11SPHK1SPHK2HPD | |
| SCHEMBL5880767 | 0.87 | ALDH1A1 (0.40) | POLBALDH1A1THRBPKMKMT2A | |
| SCHEMBL5881112 | 0.86 | OPRM1 (0.40) | — | |
| SCHEMBL5880887 | 0.86 | OPRM1 (0.40) | — | |
| Butopyronoxyl SCHEMBL8007879 | 0.83 | MAOB (0.35) | POLBMAOBCYP2D6KDM4EMEN1 | |
| SCHEMBL8008695 | 0.83 | CYP4F2 (0.49) | CYP4F2CYP4A11HPDNAAAFFAR1 | |
| SCHEMBL5881125 | 0.79 | S1PR1 (0.40) | FFAR1MAOB | |
| SCHEMBL5880929 | 0.79 | SMN1; SMN2 (0.33) | CA2CA5ACYP2D6ALDH1A1GAA | |
| SCHEMBL8340435 | 0.78 | SMN1; SMN2 (0.35) | CA2CA5ACYP2D6ALDH1A1GAA |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1999014210-A1 | PROCESS FOR THE PREPARATION OF SUBSTITUTED 5,6-DIHYDRO-2H-PYRAN-2-ONES | WARNER-LAMBERT COMPANY (US) | 1999-03-25 | — | — | WO | claimed |
| 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-1999014210-A1 | PROCESS FOR THE PREPARATION OF SUBSTITUTED 5,6-DIHYDRO-2H-PYRAN-2-ONES | WARNER-LAMBERT COMPANY (US) | 1999-03-25 | — | — | WO | disclosed |
| WO-1998019997-A2 | DIHYDROPYRONES WITH IMPROVED ANTIVIRAL ACTIVITY | WARNER-LAMBERT COMPANY (US) | 1998-05-14 | — | — | WO | disclosed |