Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 3/20 | 0.69 |
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.63 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.63 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.63 |
| ▸ | GAA | P10253 | 2/20 | 0.63 |
| ▸ | LMNA | P02545 | 2/20 | 0.63 |
| ▸ | TSHR | P16473 | 1/20 | 0.63 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.62 |
| ▸ | TLR8 | Q9NR97 | 2/20 | 0.60 |
| ▸ | HTT | P42858 | 3/20 | 0.57 |
| ▸ | HPGD | P15428 | 3/20 | 0.57 |
| ▸ | DRD2 | P14416 | 2/20 | 0.56 |
| ▸ | DRD3 | P35462 | 2/20 | 0.56 |
| ▸ | MAPT | P10636 | 2/20 | 0.55 |
| ▸ | MEN1 | O00255 | 1/20 | 0.55 |
| ▸ | NPC1 | O15118 | 1/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL9321137 | 0.91 | TP53 (0.72) | TP53KDM4EALDH1A1NPSR1GAA | |
| SCHEMBL19275979 | 0.91 | KDM4E (0.74) | TP53KDM4EALDH1A1NPSR1GAA | |
| SCHEMBL28862183 | 0.89 | TP53 (0.62) | TP53KDM4EALDH1A1NPSR1GAA | |
| SCHEMBL23709865 | 0.89 | ALDH1A1 (0.64) | TP53KDM4EALDH1A1NPSR1GAA | |
| SCHEMBL10005374 | 0.88 | TLR8 (0.71) | TP53KDM4EALDH1A1NPSR1GAA | |
| SCHEMBL29056693 | 0.87 | KDM4E (0.60) | TP53KDM4EALDH1A1NPSR1GAA | |
| SCHEMBL13784139 | 0.85 | TP53 (0.62) | TP53KDM4EALDH1A1NPSR1GAA | |
| SCHEMBL19275978 | 0.84 | KDM4E (0.77) | TP53KDM4EALDH1A1NPSR1GAA | |
| SCHEMBL29056558 | 0.84 | JAK2 (0.64) | TP53KDM4EALDH1A1NPSR1GAA | |
| SCHEMBL9914879 | 0.84 | TP53 (0.65) | TP53KDM4EALDH1A1NPSR1GAA |
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-104630796-A | Benzimidazole carbon steel pickling corrosion inhibitor and application thereof | NANJING UNIVERSITY OF TECHNOLOGY | 2015-05-20 | — | — | CN | disclosed |