Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | CCKBR | P32239 | 2/20 | 0.34 |
| ▸ | AKT1 | P31749 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.32 |
| ▸ | HRH1 | P35367 | 1/20 | 0.32 |
| ▸ | HHAT | Q5VTY9 | 2/20 | 0.32 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.32 |
| ▸ | CASR | P41180 | 1/20 | 0.32 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.32 |
| ▸ | MTNR1B | P49286 | 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 | |
|---|---|---|---|---|
| SCHEMBL1488694 | 0.80 | HTR2A (0.46) | CCKBRKDM4EHTR2AHRH1 | |
| SCHEMBL10151339 | 0.79 | HTR2A (0.37) | CCKBRAKT1HTR2AHRH1 | |
| SCHEMBL1325640 | 0.79 | SIGMAR1 (0.42) | ALDH1A1CCKBRKDM4E | |
| SCHEMBL1488692 | 0.77 | CCKBR (0.38) | CCKBRAKT1 | |
| SCHEMBL21267251 | 0.77 | PRCP (0.41) | CCKBRAKT1PAX8 | |
| SCHEMBL12013252 | 0.77 | PRCP (0.41) | CCKBRAKT1PAX8 | |
| SCHEMBL678381 | 0.77 | CCKBR (0.36) | CCKBRPAX8 | |
| SCHEMBL13908673 | 0.77 | CCKBR (0.38) | CCKBRAKT1 | |
| SCHEMBL28038494 | 0.75 | BCHE (0.39) | CCKBRHTR2AHRH1 | |
| SCHEMBL8261364 | 0.75 | HTR5A (0.41) | CCKBR |
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-2011084991-A2 | FLUORINATED HDAC INHIBITORS AND USES THEREOF | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2011-07-14 | — | — | WO | disclosed |