Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | CTSS | P25774 | 1/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | KDM2B | Q8NHM5 | 1/20 | 0.32 |
| ▸ | KCNE1 | P15382 | 2/20 | 0.32 |
| ▸ | KCNQ1 | P51787 | 2/20 | 0.32 |
| ▸ | CNR1 | P21554 | 1/20 | 0.32 |
| ▸ | CNR2 | P34972 | 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 | 0.83 | CYP4F2 (0.43) | MAOBPOLBMEN1KMT2AALDH1A1 | |
| SCHEMBL8010397 | 0.83 | CYP4F2 (0.43) | MAOBPOLBMEN1KMT2AALDH1A1 | |
| SCHEMBL8007883 | 0.75 | CYP4F2 (0.37) | MAOBPOLBCNR2ADAM17 | |
| SCHEMBL5880767 | 0.74 | ALDH1A1 (0.40) | POLBKMT2AALDH1A1LMNAHTT | |
| Butopyronoxyl SCHEMBL7635420 | 0.74 | TSHR (0.49) | MAOBCTSSALDH1A1L3MBTL1CYP3A4 | |
| SCHEMBL5880887 | 0.71 | OPRM1 (0.40) | — | |
| SCHEMBL5881112 | 0.71 | OPRM1 (0.40) | — | |
| SCHEMBL8008695 | 0.69 | CYP4F2 (0.49) | MAOBMEN1KMT2AALDH1A1L3MBTL1 | |
| SCHEMBL5881125 | 0.68 | S1PR1 (0.40) | MAOBADAM17 | |
| SCHEMBL5880929 | 0.66 | SMN1; SMN2 (0.33) | ALDH1A1CYP3A4LMNACYP2D6 |
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 |