Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 3/20 | 0.58 |
| ▸ | CES1 | P23141 | 3/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | CA3 | P07451 | 1/20 | 0.41 |
| ▸ | CA6 | P23280 | 1/20 | 0.41 |
| ▸ | CA5A | P35218 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.41 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | GPR6 | P46095 | 1/20 | 0.38 |
| ▸ | SNCA | P37840 | 1/20 | 0.38 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | USP2 | O75604 | 1/20 | 0.37 |
| ▸ | DHFR | P00374 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL20560156 | 0.79 | CES2 (0.56) | CES2CES1ALDH1A1CA3CA6 | |
| SCHEMBL2949445 | 0.79 | CA9 (0.50) | CES2CES1ALDH1A1CA3CA6 | |
| SCHEMBL2034076 | 0.79 | CES2 (0.56) | CES2CES1ALDH1A1CA3CA6 | |
| SCHEMBL16527077 | 0.79 | CES2 (0.56) | CES2CES1ALDH1A1CA3CA6 | |
| SCHEMBL238705 | 0.77 | CES2 (0.54) | CES2CES1ALDH1A1CA3CA6 | |
| SCHEMBL27721595 | 0.77 | CSNK2A1 (0.41) | CES2CES1MEN1KMT2A | |
| SCHEMBL16560497 | 0.76 | CES2 (0.58) | CES2CES1ALDH1A1CA3CA6 | |
| SCHEMBL366061 | 0.76 | CES2 (0.71) | CES2CES1ALDH1A1L3MBTL1NPC1 | |
| Hydrochloric Acid SCHEMBL15570633 | 0.74 | CES2 (0.68) | CES2CES1ALDH1A1L3MBTL1NPC1 | |
| Lithium SCHEMBL29975393 | 0.74 | CES2 (0.68) | CES2CES1ALDH1A1L3MBTL1NPC1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5204482-A | Ethylenediamine monoamide heteroaryl derivatives | HOFFMAN-LAROCHE INC. (US) | 1993-04-20 | — | — | US | disclosed |
| US-5011849-A | Monoamine oxidase inhibitors | HOFFMANN-LA ROCHE INC. (US) | 1991-04-30 | — | — | US | disclosed |