Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NAAA | Q02083 | 2/20 | 0.52 |
| ▸ | XDH | P47989 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.43 |
| ▸ | EGFR | P00533 | 2/20 | 0.41 |
| ▸ | SYK | P43405 | 1/20 | 0.41 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
| ▸ | AKR1B10 | O60218 | 3/20 | 0.40 |
| ▸ | AKR1B1 | P15121 | 3/20 | 0.40 |
| ▸ | DNM2 | P50570 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.39 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.39 |
| ▸ | CBR1 | P16152 | 1/20 | 0.39 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL28873066 | 0.87 | KDM4E (0.46) | NAAAXDHALDH1A1LMNAABCB1 | |
| SCHEMBL28873084 | 0.81 | XDH (0.53) | XDHALDH1A1LMNAABCB1ALOX5 | |
| SCHEMBL30081081 | 0.81 | XDH (0.53) | XDHALDH1A1LMNAABCB1ALOX5 | |
| SCHEMBL28873067 | 0.79 | NPC1 (0.45) | NAAAALDH1A1LMNASMN1; SMN2AKR1B10 | |
| SCHEMBL28873073 | 0.79 | NPC1 (0.50) | XDHALDH1A1SMN1; SMN2EGFRSYK | |
| SCHEMBL28299262 | 0.77 | XDH (0.53) | XDHALDH1A1LMNAABCB1ALOX5 | |
| SCHEMBL30081073 | 0.77 | XDH (0.53) | XDHALDH1A1LMNAABCB1ALOX5 | |
| SCHEMBL30081082 | 0.77 | HPGD (0.53) | XDHALDH1A1SMN1; SMN2L3MBTL1HPGD | |
| SCHEMBL28873088 | 0.77 | XDH (0.48) | XDHALDH1A1LMNASMN1; SMN2ABCB1 | |
| SCHEMBL30081083 | 0.76 | XDH (0.57) | XDHALDH1A1LMNASMN1; SMN2ABCB1 |
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-109721579-B | 7, 8-dehydrograpevine derivatives, preparation method, pharmaceutical composition and use thereof | 中国医学科学院药物研究所 | 2022-11-04 | — | — | CN | disclosed |