Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 9/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 9/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 9/20 | 0.44 |
| ▸ | DHFR | P00374 | 1/20 | 0.38 |
| ▸ | HTR2A | P28223 | 3/20 | 0.36 |
| ▸ | HTR2C | P28335 | 3/20 | 0.36 |
| ▸ | IKBKB | O14920 | 1/20 | 0.35 |
| ▸ | SSTR5 | P35346 | 1/20 | 0.34 |
| ▸ | HRH1 | P35367 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | TACR1 | P25103 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL4705441 | 0.86 | SLC6A2 (0.40) | SLC6A2SLC6A4SLC6A3DHFRHTR2A | |
| SCHEMBL4702575 | 0.85 | SLC6A2 (0.45) | SLC6A2SLC6A4SLC6A3IKBKBSSTR5 | |
| SCHEMBL4702470 | 0.82 | SLC6A4 (0.48) | SLC6A2SLC6A4SLC6A3IKBKBSSTR5 | |
| SCHEMBL4703002 | 0.80 | DHFR (0.43) | SLC6A2SLC6A4SLC6A3DHFRIKBKB | |
| SCHEMBL4705287 | 0.79 | TP53 (0.38) | SLC6A2SLC6A4SLC6A3DHFRSSTR5 | |
| SCHEMBL4594415 | 0.78 | SSTR5 (0.35) | SLC6A2SLC6A4SLC6A3DHFRHTR2A | |
| SCHEMBL3980020 | 0.76 | JAK2 (0.37) | SLC6A2SLC6A4SLC6A3DHFRHTR2A | |
| SCHEMBL3978631 | 0.76 | DHFR (0.37) | SLC6A2SLC6A4SLC6A3DHFRHTR2A | |
| SCHEMBL3998025 | 0.76 | SLC6A2 (0.37) | SLC6A2SLC6A4SLC6A3DHFRHTR2A | |
| SCHEMBL4000283 | 0.75 | MAPK8 (0.36) | SLC6A2SLC6A4SLC6A3DHFRHTR2A |
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 |