Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 2/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | SLC6A2 | P23975 | 4/20 | 0.45 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.45 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.45 |
| ▸ | SLC1A3 | P43003 | 2/20 | 0.40 |
| ▸ | SLC1A2 | P43004 | 2/20 | 0.40 |
| ▸ | SLC1A1 | P43005 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.36 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.36 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.36 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.36 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.36 |
| ▸ | PSENEN | Q9NZ42 | 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 | |
|---|---|---|---|---|
| SCHEMBL25751125 | 0.83 | CYP2C9 (0.49) | CYP2C9CYP2C19CYP3A4SLC6A2SLC6A3 | |
| SCHEMBL600090 | 0.83 | CYP2C9 (0.46) | CYP2C9CYP2C19CYP3A4SLC6A2SLC6A3 | |
| SCHEMBL31059495 | 0.83 | CYP2C9 (0.46) | CYP2C9CYP2C19CYP3A4SLC6A2SLC6A3 | |
| SCHEMBL18759588 | 0.76 | SLC6A4 (0.46) | CYP2C9CYP2C19CYP3A4SLC6A2SLC6A3 | |
| SCHEMBL7982457 | 0.74 | SLC6A2 (0.51) | SLC6A2SLC6A3SLC6A4 | |
| SCHEMBL9025636 | 0.72 | PSEN1 (0.41) | CYP2C9CYP2C19CYP3A4SLC6A2SLC6A3 | |
| SCHEMBL425330 | 0.72 | CTSL (0.50) | CYP2C9CYP2C19CYP3A4TSHRPSEN1 | |
| SCHEMBL420372 | 0.71 | CYP2C9 (0.45) | CYP2C9CYP2C19CYP3A4SLC6A2SLC6A3 | |
| SCHEMBL4693009 | 0.70 | SLC6A2 (0.47) | CYP2C9CYP2C19CYP3A4SLC6A2SLC6A3 | |
| SCHEMBL10591424 | 0.70 | SLC6A2 (0.44) | CYP2C9CYP2C19SLC6A2SLC6A3SLC6A4 |
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-1991018969-A1 | FLUORINATED BIS(HYDROXYMETHYL)CYCLOBUTYL PURINES AND PYRIMIDINES | E.R. SQUIBB & SONS, INC. (US) | 1991-12-12 | — | — | WO | disclosed |