Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 4/20 | 0.48 |
| ▸ | CYP2E1 | P05181 | 2/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.48 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | CA2 | P00918 | 2/20 | 0.44 |
| ▸ | CA9 | Q16790 | 2/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.39 |
| ▸ | STAT3 | P40763 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL5488230 | 0.81 | CA2 (0.56) | CYP2A6CYP3A4CA2CA9CA12 | |
| SCHEMBL24318549 | 0.76 | CYP2A6 (0.66) | CYP2A6CYP2E1CYP3A4CYP2C9CYP2B6 | |
| SCHEMBL20899657 | 0.73 | PTPRC (0.45) | CYP2C9CA2CA9CA12CA1 | |
| SCHEMBL9130312 | 0.72 | CA9 (0.46) | CYP2A6CYP2E1CYP3A4CYP2C9CYP2B6 | |
| SCHEMBL28462214 | 0.72 | STAT3 (0.52) | CA2CA9CA12CA1PTGS2 | |
| SCHEMBL8629752 | 0.70 | CA2 (0.43) | CYP3A4CA2CA9CA12CA1 | |
| SCHEMBL1080972 | 0.69 | CA2 (0.61) | CYP2C9CA2CA9CA12CA1 | |
| SCHEMBL13733557 | 0.69 | ALOX5AP (0.51) | CYP2C9CA2CA9CA12CA1 | |
| SCHEMBL3248283 | 0.69 | PTGS1 (0.63) | PTGS2PTGS1 | |
| SCHEMBL8480076 | 0.68 | PTGS2 (0.52) | CYP3A4CA2CA9CA12CA1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2019075394-A1 | COMPOUNDS FOR TREATMENT OF EMOTIONAL/PSYCHOLOGICAL SYMPTOMS IN FRAGILE X SYNDROME | VANDERKLISH PETER (US) | 2019-04-18 | — | — | WO | disclosed |