Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 2/20 | 0.40 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.40 |
| ▸ | APP | P05067 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | GRM5 | P41594 | 4/20 | 0.34 |
| ▸ | PLAU | P00749 | 1/20 | 0.34 |
| ▸ | TACR1 | P25103 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | SMPD1 | P17405 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL21878476 | 1.00 | IDO1 (0.40) | IDO1ENPP2APPALDH1A1NPC1 | |
| SCHEMBL3002786 | 0.79 | LMNA (0.49) | APPALDH1A1CYP2C19GRM5LMNA | |
| SCHEMBL2997865 | 0.76 | APP (0.51) | IDO1APPNPC1MEN1RAB9A | |
| SCHEMBL692519 | 0.72 | APP (0.40) | IDO1APPMEN1KMT2A | |
| SCHEMBL21878506 | 0.71 | ENPP2 (0.43) | ENPP2APPALDH1A1MEN1KMT2A | |
| SCHEMBL31098257 | 0.71 | ENPP2 (0.43) | ENPP2APPALDH1A1MEN1KMT2A | |
| SCHEMBL5653213 | 0.70 | KDM4E (0.45) | IDO1ALDH1A1NPC1CYP2D6CYP2C19 | |
| SCHEMBL255647 | 0.69 | HTT (0.45) | ALDH1A1LMNAHTTMEN1MAPT | |
| SCHEMBL22919210 | 0.68 | ENPP2 (0.35) | ENPP2APPALDH1A1GAA | |
| SCHEMBL22919196 | 0.68 | ENPP2 (0.43) | ENPP2 |
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-112996513-B | Novel pyridazines | 勃林格殷格翰国际有限公司 | 2024-10-15 | — | — | CN | disclosed |