Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.40 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.40 |
| ▸ | TRAP1 | Q12931 | 3/20 | 0.40 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.40 |
| ▸ | HSP90B1 | P14625 | 1/20 | 0.40 |
| ▸ | HTR2A | P28223 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | DAO | P14920 | 1/20 | 0.38 |
| ▸ | MCL1 | Q07820 | 3/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.38 |
| ▸ | PDE2A | O00408 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL28231674 | 0.82 | SLC6A4 (0.40) | ALDH1A1SLC6A4SLC6A2FFAR4TRAP1 | |
| SCHEMBL6864791 | 0.81 | CES2 (0.47) | FFAR4DAOCYP3A4 | |
| SCHEMBL13437709 | 0.80 | IDO1 (0.53) | MEN1KMT2ATSHRDAOPDE2A | |
| SCHEMBL6152782 | 0.79 | IDO1 (0.43) | ALDH1A1SLC6A4SLC6A2TRAP1HSP90AA1 | |
| SCHEMBL5235367 | 0.79 | ALDH1A1 (0.43) | ALDH1A1SLC6A4SLC6A2FFAR4TRAP1 | |
| SCHEMBL10050765 | 0.79 | SLC6A4 (0.46) | ALDH1A1SLC6A4SLC6A2TRAP1HSP90AA1 | |
| SCHEMBL10656350 | 0.79 | SLC6A4 (0.48) | ALDH1A1SLC6A4SLC6A2TRAP1HSP90AA1 | |
| SCHEMBL6443956 | 0.79 | DAO (0.39) | ALDH1A1SLC6A4FFAR4HTR2AKCNH2 | |
| SCHEMBL3408206 | 0.79 | CES2 (0.37) | ALDH1A1DAOCYP3A4 | |
| SCHEMBL1745725 | 0.79 | MEN1 (0.45) | FFAR4HSP90AA1MEN1KMT2ATSHR |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2010001220-A1 | NEW 1,2,4-TRIAZINE DERIVATIVES AND BIOLOGICAL APPLICATIONS THEREOF | MUTABILIS SA (FR) | 2010-01-07 | — | — | WO | disclosed |