Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR6 | P50406 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
| ▸ | CTSD | P07339 | 1/20 | 0.35 |
| ▸ | BACE1 | P56817 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | ABHD10 | Q9NUJ1 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL8577569 | 0.88 | ABCG2 (0.42) | HTR6KDM4EALDH1A1CYP3A4ABCG2 | |
| SCHEMBL8577398 | 0.84 | GAA (0.38) | KDM4EHSD17B10ABCG2MAOBBACE1 | |
| SCHEMBL8574170 | 0.82 | GAA (0.39) | KDM4EALDH1A1ABCG2BACE1MEN1 | |
| SCHEMBL8575417 | 0.77 | RIPK1 (0.41) | HTR6KDM4EALDH1A1CYP3A4ABCG2 | |
| SCHEMBL31261716 | 0.77 | ALDH1A1 (0.46) | HTR6KDM4EALDH1A1CYP3A4HPGD | |
| SCHEMBL8577523 | 0.76 | ABCG2 (0.42) | HTR6KDM4EALDH1A1CYP3A4HPGD | |
| SCHEMBL8572826 | 0.76 | CYP19A1 (0.37) | ALDH1A1CYP3A4HSD17B10MAOBMEN1 | |
| SCHEMBL8572760 | 0.76 | PLK1 (0.37) | ALDH1A1CTSDBACE1 | |
| SCHEMBL8577389 | 0.72 | GLRA3 (0.34) | CYP3A4HPGDMAPK1MEN1KMT2A | |
| SCHEMBL8576216 | 0.72 | GAA (0.38) | KDM4EALDH1A1ABCG2BACE1MEN1 |
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-1998017662-A1 | PHENYL-SUBSTITUTED BICYCLIC HETEROCYCLYL DERIVATIVES AND THEIR USE | NOVARTIS AG (CH) | 1998-04-30 | — | — | WO | disclosed |