Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 11/20 | 0.45 |
| ▸ | SLC6A4 | P31645 | 11/20 | 0.45 |
| ▸ | SLC6A3 | Q01959 | 9/20 | 0.45 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.36 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.36 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.36 |
| ▸ | IKBKB | O14920 | 1/20 | 0.35 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.32 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | DRD1 | P21728 | 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 | |
|---|---|---|---|---|
| SCHEMBL4702575 | 0.75 | SLC6A2 (0.45) | SLC6A2SLC6A4SLC6A3IKBKBKCNH2 | |
| SCHEMBL4702470 | 0.74 | SLC6A4 (0.48) | SLC6A2SLC6A4SLC6A3IKBKBKCNH2 | |
| SCHEMBL4705848 | 0.73 | SLC6A2 (0.41) | SLC6A2SLC6A4SLC6A3IKBKBREN | |
| SCHEMBL4701133 | 0.70 | SLC6A2 (0.42) | SLC6A2SLC6A4SLC6A3IKBKBTSHR | |
| SCHEMBL4701120 | 0.70 | SLC6A2 (0.45) | SLC6A2SLC6A4SLC6A3KCNH2SMN1; SMN2 | |
| SCHEMBL4705296 | 0.70 | SLC6A2 (0.44) | SLC6A2SLC6A4SLC6A3IKBKBKCNH2 | |
| SCHEMBL4706328 | 0.70 | SLC6A4 (0.44) | SLC6A2SLC6A4SLC6A3KCNH2SMN1; SMN2 | |
| SCHEMBL4701500 | 0.69 | SLC6A2 (0.41) | SLC6A2SLC6A4SLC6A3IKBKB | |
| SCHEMBL3939023 | 0.69 | SLC6A2 (0.37) | SLC6A2SLC6A4SLC6A3IKBKBKCNH2 | |
| SCHEMBL4704338 | 0.69 | SLC6A2 (0.41) | SLC6A2SLC6A4SLC6A3IKBKB |
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 |