Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 2/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | CYBB | P04839 | 1/20 | 0.35 |
| ▸ | NOX5 | Q96PH1 | 1/20 | 0.35 |
| ▸ | NOX4 | Q9NPH5 | 1/20 | 0.35 |
| ▸ | NOX1 | Q9Y5S8 | 1/20 | 0.35 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | RAD51 | Q06609 | 1/20 | 0.35 |
| ▸ | KMO | O15229 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL17183581 | 0.90 | AKR1C3 (0.39) | AKR1C3CYP2C9CYP2C19LMNACYBB | |
| SCHEMBL30293754 | 0.89 | AKR1C3 (0.38) | AKR1C3CYP2C9CYP2C19LMNAEGLN1 | |
| Hydrochloric Acid SCHEMBL30569277 | 0.88 | AKR1C3 (0.38) | AKR1C3CYP2C9CYP2C19LMNAEGLN1 | |
| SCHEMBL17183565 | 0.82 | NPSR1 (0.46) | LMNAMAPTALDH1A1GAA | |
| SCHEMBL22418468 | 0.81 | AXL (0.40) | CYP2C9CYP2C19SMN1; SMN2ALDH1A1PKM | |
| SCHEMBL17183553 | 0.77 | DEGS1 (0.46) | SMN1; SMN2MAPTALDH1A1PKMKCNK3 | |
| SCHEMBL20881474 | 0.77 | ALDH1A1 (0.47) | AKR1C3CYP2C9CYP2C19LMNACYBB | |
| SCHEMBL22418416 | 0.75 | KMT2A (0.47) | LMNASMN1; SMN2MAPTALDH1A1PKM | |
| SCHEMBL25171214 | 0.74 | KCNK3 (0.37) | LMNASMN1; SMN2MAPTALDH1A1PKM | |
| SCHEMBL25182477 | 0.74 | ALDH1A1 (0.43) | CYP2C9LMNAEGLN1SMN1; SMN2ALDH1A1 |
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-111689991-B | Substituted heteroaryl compounds, compositions and uses thereof | 习峰 | 2023-06-09 | — | — | CN | disclosed |