Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 3/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.41 |
| ▸ | FYN | P06241 | 1/20 | 0.39 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.37 |
| ▸ | CHEK2 | O96017 | 2/20 | 0.37 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.35 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.34 |
| ▸ | SSTR5 | P35346 | 2/20 | 0.34 |
| ▸ | MAP3K11 | Q16584 | 1/20 | 0.34 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.33 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.33 |
| ▸ | TACR1 | P25103 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL4703982 | 0.91 | SLC6A2 (0.41) | SLC6A2SLC6A4SLC6A3AOC3CHEK2 | |
| SCHEMBL4702295 | 0.91 | REN (0.42) | SLC6A2SLC6A4SLC6A3FYNAOC3 | |
| SCHEMBL4704666 | 0.91 | SLC6A2 (0.41) | SLC6A2SLC6A4SLC6A3AOC3KCNH2 | |
| SCHEMBL4705165 | 0.91 | SLC6A2 (0.41) | SLC6A2SLC6A4SLC6A3AOC3KCNH2 | |
| SCHEMBL3977612 | 0.87 | SLC6A2 (0.37) | SLC6A2SLC6A4SLC6A3KDM4EALDH1A1 | |
| SCHEMBL3973372 | 0.80 | RXRA (0.41) | SLC6A2SLC6A4SLC6A3KDM4EALDH1A1 | |
| SCHEMBL3971901 | 0.78 | SSTR5 (0.43) | SLC6A2SLC6A4SLC6A3KCNH2SSTR5 | |
| SCHEMBL3972925 | 0.78 | MAPK1 (0.44) | SLC6A2SLC6A4SLC6A3ALDH1A1KCNH2 | |
| SCHEMBL3973812 | 0.77 | SSTR5 (0.38) | SLC6A2SLC6A4SLC6A3KDM4EKCNH2 | |
| SCHEMBL3972873 | 0.77 | SLC6A9 (0.37) | SLC6A2SLC6A4SLC6A3KCNH2SSTR5 |
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-2001867-A2 | PYRIMIDINE, QUINAZOLINE, PTERIDINE AND TRIAZINE DERIVATIVES | F. Hoffmann-Roche AG (CH) | 2008-12-17 | — | — | EP | disclosed |
| WO-2007110340-A2 | PYRIMIDINE, QUINAZOLINE, PTERIDINE AND TRIAZINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2007-10-04 | — | — | WO | disclosed |