Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | THRB | P10828 | 1/20 | 0.50 |
| ▸ | ATM | Q13315 | 1/20 | 0.50 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 2/20 | 0.48 |
| ▸ | IDO1 | P14902 | 2/20 | 0.47 |
| ▸ | AGXT | P21549 | 2/20 | 0.47 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.47 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.47 |
| ▸ | LDHA | P00338 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | PLA2G4B | P0C869 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL5795851 | 0.83 | IDO1 (0.61) | ALDH1A1TAAR1SMN1; SMN2HTTIDO1 | |
| SCHEMBL8075893 | 0.83 | IDO1 (0.61) | ALDH1A1TAAR1SMN1; SMN2HTTIDO1 | |
| SCHEMBL5795848 | 0.83 | IDO1 (0.61) | ALDH1A1TAAR1SMN1; SMN2HTTIDO1 | |
| SCHEMBL29879227 | 0.82 | TBXAS1 (0.51) | ALDH1A1SMN1; SMN2NPC1POLBRAB9A | |
| SCHEMBL29136751 | 0.82 | TBXAS1 (0.51) | ALDH1A1SMN1; SMN2NPC1POLBRAB9A | |
| SCHEMBL6223018 | 0.82 | HCAR2 (0.56) | ALDH1A1TDP1MAPK1 | |
| SCHEMBL6223013 | 0.82 | HCAR2 (0.56) | ALDH1A1TDP1MAPK1 | |
| SCHEMBL1931433 | 0.80 | THRB (0.56) | ALDH1A1THRBATMTAAR1SMN1; SMN2 | |
| SCHEMBL1931432 | 0.80 | THRB (0.56) | ALDH1A1THRBATMTAAR1SMN1; SMN2 | |
| SCHEMBL1030381 | 0.79 | IDO1 (0.52) | ALDH1A1SMN1; SMN2NPC1POLBRAB9A |
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 |
|---|---|---|---|---|---|---|---|
| CN-117355521-A | Heteroaryl inhibitors of plasma kallikrein | 武田药品工业株式会社 | 2024-01-05 | — | — | CN | disclosed |