Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PSEN1 | P49768 | 1/20 | 0.41 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.41 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.41 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.41 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.41 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.40 |
| ▸ | TACR1 | P25103 | 3/20 | 0.39 |
| ▸ | SLC1A3 | P43003 | 2/20 | 0.38 |
| ▸ | SLC1A2 | P43004 | 2/20 | 0.38 |
| ▸ | SLC1A1 | P43005 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL20530465 | 0.75 | CA1 (0.50) | TSHRCYP3A4SLC1A1MEN1KMT2A | |
| SCHEMBL20530469 | 0.75 | CA1 (0.50) | TSHRCYP3A4SLC1A1MEN1KMT2A | |
| SCHEMBL20530467 | 0.75 | CA1 (0.50) | TSHRCYP3A4SLC1A1MEN1KMT2A | |
| SCHEMBL20530473 | 0.75 | CA1 (0.50) | TSHRCYP3A4SLC1A1MEN1KMT2A | |
| SCHEMBL20530471 | 0.75 | CA1 (0.50) | TSHRCYP3A4SLC1A1MEN1KMT2A | |
| SCHEMBL9753899 | 0.72 | CYP2C9 (0.48) | PSEN1PSEN2APH1BNCSTNAPH1A | |
| SCHEMBL22749632 | 0.70 | PSEN1 (0.51) | PSEN1PSEN2APH1BNCSTNAPH1A | |
| SCHEMBL1797263 | 0.70 | PSEN1 (0.51) | PSEN1PSEN2APH1BNCSTNAPH1A | |
| SCHEMBL18759588 | 0.70 | SLC6A4 (0.46) | TSHRCYP2C9CYP2C19CYP3A4SLC6A2 | |
| SCHEMBL21562857 | 0.69 | CTSL (0.44) | PSEN1PSEN2APH1BNCSTNAPH1A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0458363-B1 | Fluorinated bis(hydroxymethyl) cyclobutyl purines and pyrimidines | SQUIBB & SONS INC (US) | 1996-02-07 | — | — | EP | disclosed |
| EP-0458363-A1 | Fluorinated bis(hydroxymethyl) cyclobutyl purines and pyrimidines | E.R. SQUIBB & SONS, INC. (US) | 1991-11-27 | — | — | EP | disclosed |