Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | RHEB | Q15382 | 1/20 | 0.42 |
| ▸ | HTR1A | P08908 | 4/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 4/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | TTR | P02766 | 1/20 | 0.34 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL8123122 | 0.82 | ALDH1A1 (0.41) | ALDH1A1RHEBHTR1ASLC6A2SLC6A4 | |
| SCHEMBL8116149 | 0.82 | ALDH1A1 (0.41) | ALDH1A1RHEBHTR1ASLC6A2SLC6A4 | |
| SCHEMBL8122018 | 0.82 | HTR1A (0.43) | ALDH1A1RHEBHTR1ASLC6A2SLC6A4 | |
| SCHEMBL8125218 | 0.82 | ALDH1A1 (0.41) | ALDH1A1RHEBHTR1ASLC6A2SLC6A4 | |
| SCHEMBL8115402 | 0.82 | ALDH1A1 (0.41) | ALDH1A1RHEBHTR1ASLC6A2SLC6A4 | |
| SCHEMBL8131463 | 0.78 | GRIA1 (0.39) | ALDH1A1RHEBHTR1ASLC6A2SLC6A4 | |
| SCHEMBL8121931 | 0.77 | ALDH1A1 (0.43) | ALDH1A1RHEBHTR1ASLC6A2SLC6A4 | |
| SCHEMBL6325195 | 0.77 | RHEB (0.60) | ALDH1A1RHEBHTR1ASLC6A2SLC6A4 | |
| SCHEMBL2533671 | 0.76 | ALDH1A1 (0.41) | ALDH1A1RHEBHTR1ASLC6A2SLC6A4 | |
| SCHEMBL8124744 | 0.76 | MAPK1 (0.39) | ALDH1A1RHEBHTR1ASLC6A2SLC6A4 |
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-1028945-A1 | SUBSTITUTED PYRIDINE COMPOUNDS AS ANTI-INFLAMMATORY AGENTS | Amgen Inc. (US) | 2000-08-23 | — | — | EP | disclosed |
| WO-1999024404-A1 | SUBSTITUTED PYRIDINE COMPOUNDS AS ANTI-INFLAMMATORY AGENTS | AMGEN INC. (US) | 1999-05-20 | — | — | WO | disclosed |