Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 7/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | JUN | P05412 | 1/20 | 0.35 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.35 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.35 |
| ▸ | RELA | Q04206 | 1/20 | 0.35 |
| ▸ | CNR2 | P34972 | 1/20 | 0.35 |
| ▸ | CETP | P11597 | 4/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL4704752 | 0.89 | SLC6A2 (0.36) | TACR1SLC6A2SLC6A4SLC6A3KCNH2 | |
| SCHEMBL4704599 | 0.89 | SLC6A2 (0.38) | TACR1SLC6A2SLC6A4SLC6A3CNR2 | |
| SCHEMBL4704429 | 0.89 | CNR2 (0.37) | TACR1SLC6A2SLC6A4SLC6A3KCNH2 | |
| SCHEMBL4704998 | 0.89 | KDM4E (0.37) | TACR1SLC6A2SLC6A4SLC6A3KCNH2 | |
| SCHEMBL4705277 | 0.85 | SLC6A2 (0.40) | TACR1SLC6A2SLC6A4SLC6A3KCNH2 | |
| SCHEMBL4703017 | 0.85 | SLC6A2 (0.40) | TACR1SLC6A2SLC6A4SLC6A3KCNH2 | |
| SCHEMBL4705287 | 0.85 | TP53 (0.38) | TACR1SLC6A2SLC6A4SLC6A3JUN | |
| SCHEMBL4706291 | 0.85 | SLC6A2 (0.39) | TACR1SLC6A2SLC6A4SLC6A3KCNH2 | |
| SCHEMBL4702177 | 0.85 | REN (0.41) | TACR1SLC6A2SLC6A4SLC6A3KCNH2 | |
| SCHEMBL4703140 | 0.78 | REN (0.43) | TACR1SLC6A2SLC6A4SLC6A3 |
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 |