Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | HTT | P42858 | 3/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | KDR | P35968 | 4/20 | 0.39 |
| ▸ | CNR1 | P21554 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 3/20 | 0.37 |
| ▸ | RAB9A | P51151 | 3/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL28611460 | 0.93 | ALDH1A1 (0.41) | ALDH1A1HTTSMN1; SMN2LMNAKDR | |
| SCHEMBL28599137 | 0.91 | LMNA (0.40) | ALDH1A1HTTSMN1; SMN2KDM4ELMNA | |
| SCHEMBL28612707 | 0.90 | MEN1 (0.41) | ALDH1A1HTTSMN1; SMN2KDM4ECYP2C9 | |
| SCHEMBL28612436 | 0.90 | HTT (0.42) | ALDH1A1HTTSMN1; SMN2KDM4ELMNA | |
| SCHEMBL28606352 | 0.88 | AR (0.42) | ALDH1A1HTTSMN1; SMN2KDM4ELMNA | |
| SCHEMBL28618559 | 0.88 | MEN1 (0.41) | HTTSMN1; SMN2KDM4ELMNACYP1A2 | |
| SCHEMBL28611414 | 0.87 | KDR (0.39) | ALDH1A1HTTKDM4ECYP1A2ALOX15 | |
| SCHEMBL28608385 | 0.87 | KDM4E (0.43) | ALDH1A1HTTSMN1; SMN2KDM4ELMNA | |
| SCHEMBL28612665 | 0.85 | ALDH1A1 (0.40) | ALDH1A1HTTSMN1; SMN2LMNAKDR | |
| Aza-Flavanone SCHEMBL28608106 | 0.83 | KDR (0.42) | ALDH1A1SMN1; SMN2KDM4ELMNAALOX15 |
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-108558756-B | 2-aryl-2, 3-dihydro-4 (1H) -quinolinone semicarbazone compound and application thereof | 沈阳药科大学 | 2021-08-03 | — | — | CN | claimed |