Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | REN | P00797 | 3/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | TACR1 | P25103 | 2/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL4703140 | 0.92 | REN (0.43) | RENSLC6A2SLC6A4SLC6A3TACR1 | |
| SCHEMBL4705277 | 0.91 | SLC6A2 (0.40) | SLC6A2SLC6A4SLC6A3TACR1KCNH2 | |
| SCHEMBL4703017 | 0.91 | SLC6A2 (0.40) | SLC6A2SLC6A4SLC6A3TACR1KCNH2 | |
| SCHEMBL4706291 | 0.90 | SLC6A2 (0.39) | SLC6A2SLC6A4SLC6A3TACR1KCNH2 | |
| SCHEMBL4704752 | 0.88 | SLC6A2 (0.36) | SLC6A2SLC6A4SLC6A3TACR1KCNH2 | |
| SCHEMBL4704998 | 0.87 | KDM4E (0.37) | SLC6A2SLC6A4SLC6A3TACR1KCNH2 | |
| SCHEMBL4704429 | 0.87 | CNR2 (0.37) | SLC6A2SLC6A4SLC6A3TACR1KCNH2 | |
| SCHEMBL4705287 | 0.85 | TP53 (0.38) | SLC6A2SLC6A4SLC6A3TACR1ALDH1A1 | |
| SCHEMBL4705237 | 0.85 | TACR1 (0.39) | SLC6A2SLC6A4SLC6A3TACR1KCNH2 | |
| SCHEMBL3974580 | 0.84 | REN (0.41) | RENSLC6A2SLC6A4L3MBTL1MEN1 |
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 |