Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.50 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.47 |
| ▸ | CYP1A1 | P04798 | 3/20 | 0.47 |
| ▸ | CYP1B1 | Q16678 | 3/20 | 0.47 |
| ▸ | TTR | P02766 | 2/20 | 0.47 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | TP53 | P04637 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | CALM1 | P0DP23 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | USP2 | O75604 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL233829 | 0.82 | ALDH1A1 (0.69) | CYP3A4PTGS2CYP1A1CYP1B1TTR | |
| SCHEMBL14387492 | 0.82 | ALDH1A1 (0.59) | CYP3A4PTGS2CYP1A1CYP1B1TTR | |
| Flamenol SCHEMBL69428 | 0.82 | CYP3A4 (0.62) | CYP3A4PTGS2CYP1A1CYP1B1TTR | |
| SCHEMBL470715 | 0.82 | ALDH1A1 (0.69) | CYP3A4PTGS2CYP1A1CYP1B1TTR | |
| Flamenol SCHEMBL3190965 | 0.79 | CYP3A4 (0.59) | CYP3A4PTGS2CYP1A1CYP1B1TTR | |
| Water SCHEMBL27933293 | 0.79 | ALDH1A1 (0.65) | CYP3A4PTGS2CYP1A1CYP1B1TTR | |
| SCHEMBL25062001 | 0.73 | ALDH1A1 (0.48) | CYP3A4CYP1A1CYP1B1KDM4EALDH1A1 | |
| SCHEMBL296714 | 0.73 | PTPN1 (0.67) | CYP3A4PTGS2CYP1A1CYP1B1TTR | |
| SCHEMBL31507600 | 0.73 | PTPN1 (0.67) | CYP3A4PTGS2CYP1A1CYP1B1TTR | |
| SCHEMBL21118092 | 0.73 | CA1 (0.42) | CYP3A4CYP1A1CYP1B1ALDH1A1TP53 |
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-2020263058-A1 | AMINOCYANOPYRIDINE DERIVATIVE AND USE THEREOF | 한미약품 주식회사 | 2020-12-30 | — | — | WO | disclosed |