Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.46 |
| ▸ | MMP3 | P08254 | 1/20 | 0.46 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | GAA | P10253 | 2/20 | 0.45 |
| ▸ | PGR | P06401 | 1/20 | 0.45 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | PLK1 | P53350 | 1/20 | 0.44 |
| ▸ | NCEH1 | Q6PIU2 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | AHR | P35869 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL29016506 | 0.89 | RXFP1 (0.42) | RXFP1MMP3HDAC8ALDH1A1GAA | |
| Acetone SCHEMBL28388268 | 0.88 | RXFP1 (0.47) | RXFP1MMP3HDAC8ALDH1A1GAA | |
| Acetic Acid SCHEMBL27521004 | 0.86 | NR4A1 (0.50) | RXFP1MMP3HDAC8ALDH1A1HSD17B10 | |
| Methyl Benzoate SCHEMBL28841045 | 0.83 | TSHR (0.61) | ALDH1A1GAAMAPK1KMT2AMEN1 | |
| Ethyl Acetate SCHEMBL27934098 | 0.83 | ALDH1A1 (0.51) | RXFP1ALDH1A1MAPK1HSD17B10KMT2A | |
| Methyl Alcohol SCHEMBL27338516 | 0.82 | ALDH1A1 (0.48) | MMP3HDAC8ALDH1A1HSD17B10PLK1 | |
| Urea SCHEMBL6165063 | 0.80 | KDM4E (0.52) | MMP3HDAC8ALDH1A1GAAHSD17B10 | |
| SCHEMBL29903148 | 0.79 | ALDH1A1 (0.53) | MMP3HDAC8ALDH1A1HSD17B10HPGD | |
| SCHEMBL29405063 | 0.79 | ALDH1A1 (0.53) | MMP3HDAC8ALDH1A1HSD17B10HPGD | |
| SCHEMBL69629 | 0.79 | ALDH1A1 (0.53) | MMP3HDAC8ALDH1A1HSD17B10HPGD |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1267281-A | Glucagon antagonists/inverse agonists | NOVO NORDISK AS (DK) | 2000-09-20 | — | — | CN | disclosed |
| CN-1077953-A | Acetogenin | GLAXO GROUP LTD (GB) | 1993-11-03 | — | — | CN | disclosed |