Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR2 | P34972 | 1/20 | 0.47 |
| ▸ | KCNH3 | Q9ULD8 | 2/20 | 0.47 |
| ▸ | NAMPT | P43490 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | PDE5A | O76074 | 3/20 | 0.40 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.39 |
| ▸ | CDK9 | P50750 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | JAK2 | O60674 | 1/20 | 0.39 |
| ▸ | JAK1 | P23458 | 1/20 | 0.39 |
| ▸ | TYK2 | P29597 | 1/20 | 0.39 |
| ▸ | JAK3 | P52333 | 1/20 | 0.39 |
| ▸ | FLT3 | P36888 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | CTSS | P25774 | 2/20 | 0.38 |
| ▸ | AOC2 | O75106 | 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 | |
|---|---|---|---|---|
| SCHEMBL25330831 | 0.87 | JAK2 (0.45) | CNR2KCNH3MAPK1KDM4EALDH1A1 | |
| SCHEMBL13460443 | 0.82 | KCNH3 (0.47) | CNR2KCNH3NAMPTMAPK1KDM4E | |
| SCHEMBL21256816 | 0.82 | KCNH3 (0.47) | CNR2KCNH3MAPK1KDM4EALDH1A1 | |
| SCHEMBL1565671 | 0.81 | RAB9A (0.44) | MAPK1KDM4EALDH1A1JAK2JAK1 | |
| SCHEMBL22414312 | 0.81 | RAB9A (0.44) | MAPK1KDM4EALDH1A1JAK2JAK1 | |
| SCHEMBL5793778 | 0.81 | KCNH3 (0.65) | CNR2KCNH3NAMPTMAPK1KDM4E | |
| SCHEMBL17845399 | 0.79 | GAA (0.45) | CNR2KCNH3MAPK1KDM4EALDH1A1 | |
| SCHEMBL20448552 | 0.79 | KCNH3 (0.47) | CNR2KCNH3NAMPTMAPK1KDM4E | |
| SCHEMBL11934730 | 0.79 | MERTK (0.44) | CNR2MAPK1KDM4EJAK2JAK1 | |
| SCHEMBL13438618 | 0.79 | MERTK (0.44) | CNR2MAPK1KDM4EJAK2JAK1 |
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-2021203023-A1 | INDOLE DERIVATIVES AS ALPHA-1 -ANTITRYPSIN MODULATORS FOR TREATING ALPHA-1 -ANTITRYPSIN DEFICIENCY (AATD) | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2021-10-07 | — | — | WO | disclosed |