Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.31 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.31 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.31 |
| ▸ | CASR | P41180 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL28428114 | 0.80 | CA1 (0.40) | CA1CA2CYP1A2CYP2A6NPC1 | |
| Ethylene Glycol SCHEMBL28421104 | 0.78 | ENPP2 (0.53) | CA1CA2NPC1RAB9AMEN1 | |
| SCHEMBL5952233 | 0.78 | CA1 (0.55) | CA1CA2CYP1A2CYP2A6NPC1 | |
| SCHEMBL5951121 | 0.77 | CA1 (0.50) | CA1CA2CYP1A2CYP2A6NPC1 | |
| Ethylene Glycol SCHEMBL28300855 | 0.76 | CA2 (0.41) | CA2 | |
| SCHEMBL21076143 | 0.72 | CA1 (0.61) | CA1CA2CYP1A2CYP2A6NPC1 | |
| SCHEMBL22635041 | 0.71 | CA1 (0.65) | CA1CA2CYP1A2CYP2A6TDP1 | |
| SCHEMBL20338457 | 0.71 | CA1 (0.52) | CA1CA2TDP1 | |
| SCHEMBL20338465 | 0.71 | IDO1 (0.32) | — | |
| SCHEMBL517925 | 0.71 | CA1 (0.50) | CA1CA2CYP1A2CYP2A6TDP1 |
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-108530389-B | Preparation method of 2-aryl cyclopropylamine compound | 东北师范大学 | 2020-06-09 | — | — | CN | disclosed |