Predicted protein targets (top 20)
| 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 | 3/20 | 0.36 |
| ▸ | HTT | P42858 | 3/20 | 0.36 |
| ▸ | POLB | P06746 | 2/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.35 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL30569277 | 0.99 | AKR1C3 (0.38) | AKR1C3CYP2C9CYP2C19LMNAHTT | |
| SCHEMBL17183581 | 0.90 | AKR1C3 (0.39) | AKR1C3CYP2C9CYP2C19LMNAALDH1A1 | |
| SCHEMBL30442008 | 0.89 | AKR1C3 (0.38) | AKR1C3CYP2C9CYP2C19LMNAALDH1A1 | |
| SCHEMBL30293750 | 0.83 | ALDH1A1 (0.43) | HTTPOLBHSD17B10ALDH1A1KDM4E | |
| SCHEMBL17183565 | 0.82 | NPSR1 (0.46) | LMNAHTTHSD17B10ALDH1A1KDM4E | |
| SCHEMBL30293763 | 0.79 | AXL (0.40) | CYP2C9CYP2C19POLBALDH1A1KDM4E | |
| SCHEMBL30250785 | 0.78 | AXL (0.44) | HTTPOLBALDH1A1KDM4ESMN1; SMN2 | |
| SCHEMBL17183553 | 0.77 | DEGS1 (0.46) | HSD17B10ALDH1A1KDM4ESMN1; SMN2MAPT | |
| SCHEMBL20881474 | 0.77 | ALDH1A1 (0.47) | AKR1C3CYP2C9CYP2C19LMNAHTT | |
| SCHEMBL22418416 | 0.75 | KMT2A (0.47) | LMNAHTTPOLBHSD17B10ALDH1A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113683629-B | Substituted heteroaryl compounds, compositions and uses thereof | 北京范恩柯尔生物科技有限公司 | 2023-07-04 | — | — | CN | disclosed |
| CN-113912628-B | Triazine compound, composition and application thereof | 北京范恩柯尔生物科技有限公司 | 2023-05-02 | — | — | CN | disclosed |
| CN-115850301-A | Pyrazolone compound and composition and application thereof | 中山医诺维申新药研发有限公司 | 2023-03-28 | — | — | CN | disclosed |