Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 7/20 | 0.45 |
| ▸ | SLC6A2 | P23975 | 6/20 | 0.45 |
| ▸ | SLC6A3 | Q01959 | 5/20 | 0.45 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.39 |
| ▸ | TACR1 | P25103 | 5/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | GRM5 | P41594 | 1/20 | 0.35 |
| ▸ | PLAT | P00750 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | CNR2 | P34972 | 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 | |
|---|---|---|---|---|
| SCHEMBL4703127 | 0.89 | SLC6A2 (0.44) | SLC6A4SLC6A2SLC6A3KCNH2TACR1 | |
| SCHEMBL4705309 | 0.88 | SLC6A2 (0.41) | SLC6A4SLC6A2SLC6A3KCNH2TACR1 | |
| SCHEMBL4705827 | 0.88 | SLC6A2 (0.41) | SLC6A4SLC6A2SLC6A3KCNH2TACR1 | |
| SCHEMBL4701120 | 0.85 | SLC6A2 (0.45) | SLC6A4SLC6A2SLC6A3KCNH2TACR1 | |
| SCHEMBL4706328 | 0.84 | SLC6A4 (0.44) | SLC6A4SLC6A2SLC6A3KCNH2TACR1 | |
| SCHEMBL4705441 | 0.84 | SLC6A2 (0.40) | SLC6A4SLC6A2SLC6A3KCNH2TACR1 | |
| SCHEMBL3972784 | 0.82 | TACR1 (0.36) | SLC6A4SLC6A2SLC6A3KCNH2TACR1 | |
| SCHEMBL3925281 | 0.81 | TACR1 (0.41) | SLC6A4SLC6A2SLC6A3KCNH2TACR1 | |
| SCHEMBL4705223 | 0.78 | REN (0.44) | SLC6A4SLC6A2SLC6A3KDM4E | |
| SCHEMBL4705237 | 0.75 | TACR1 (0.39) | SLC6A4SLC6A2SLC6A3KCNH2TACR1 |
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 |