Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.67 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.67 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.51 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.51 |
| ▸ | GLA | P06280 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.51 |
| ▸ | THPO | P40225 | 1/20 | 0.51 |
| ▸ | NLN | Q9BYT8 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL388562 | 0.89 | CYP3A4 (0.73) | CYP3A4SLC7A5HRH4HRH3MEN1 | |
| SCHEMBL28328192 | 0.88 | CYP3A4 (0.67) | CYP3A4SLC7A5HRH4HRH3MEN1 | |
| SCHEMBL5542765 | 0.88 | CYP3A4 (0.67) | CYP3A4SLC7A5HRH4HRH3MEN1 | |
| SCHEMBL163444 | 0.87 | CYP3A4 (0.71) | CYP3A4SLC7A5HRH4HRH3MEN1 | |
| SCHEMBL1537285 | 0.87 | CYP3A4 (0.71) | CYP3A4SLC7A5HRH4HRH3MEN1 | |
| SCHEMBL27759486 | 0.86 | CYP3A4 (0.65) | CYP3A4SLC7A5HRH4HRH3MEN1 | |
| SCHEMBL3393715 | 0.86 | CYP3A4 (0.65) | CYP3A4SLC7A5HRH4HRH3MEN1 | |
| SCHEMBL93943 | 0.86 | CYP3A4 (0.65) | CYP3A4SLC7A5HRH4HRH3MEN1 | |
| SCHEMBL3435176 | 0.86 | CYP3A4 (0.69) | CYP3A4SLC7A5HRH4HRH3MEN1 | |
| Hydrochloric Acid SCHEMBL28331180 | 0.86 | CYP3A4 (0.69) | CYP3A4SLC7A5HRH4HRH3MEN1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-116789578-A | Chiral monofluoro bis (arylsulfonyl) methyl/(deuterated) monofluoromethyl substituted chiral allyl compounds and synthesis method thereof | 华东师范大学 | 2023-09-22 | — | — | CN | disclosed |
| EP-1815254-A2 | FLUORESCENCE POLARIZATION ASSAY FOR DETERMINING HISTIDINE DECARBOXYLASE ACTIVITY | BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) | 2007-08-08 | — | — | EP | disclosed |
| WO-2006055753-A2 | FLUORESCENCE POLARIZATION ASSAY FOR DETERMINING HISTIDINE DECARBOXYLASE ACTIVITY | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 2006-05-26 | — | — | WO | disclosed |