Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 2/20 | 0.41 |
| ▸ | LOXL2 | Q9Y4K0 | 2/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA3 | P07451 | 1/20 | 0.39 |
| ▸ | CA6 | P23280 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 3/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | IDO1 | P14902 | 2/20 | 0.37 |
| ▸ | MMP12 | P39900 | 1/20 | 0.36 |
| ▸ | MMP13 | P45452 | 1/20 | 0.36 |
| ▸ | MMP3 | P08254 | 1/20 | 0.36 |
| ▸ | SMPD1 | P17405 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7516614 | 0.84 | ALOX5 (0.42) | MAOBLOXL2CYP2A6CA12CA2 | |
| SCHEMBL7510108 | 0.79 | MAOB (0.49) | MAOBCA2CA9RAB9ANPC1 | |
| SCHEMBL7452032 | 0.79 | MAOB (0.49) | MAOBCA2CA9RAB9ANPC1 | |
| SCHEMBL7989142 | 0.77 | IDO1 (0.44) | MAOBIDO1 | |
| SCHEMBL1883601 | 0.77 | SLC1A3 (0.43) | CA2CA9IDO1 | |
| SCHEMBL9439454 | 0.77 | SLC1A3 (0.43) | CA2CA9IDO1 | |
| SCHEMBL7968714 | 0.73 | ALOX5 (0.44) | MAOBLOXL2CYP2A6CA12CA2 | |
| SCHEMBL7968710 | 0.73 | ALOX5 (0.44) | MAOBLOXL2CYP2A6CA12CA2 | |
| SCHEMBL29752790 | 0.73 | SLC1A3 (0.43) | CA2CA9IDO1 | |
| SCHEMBL799863 | 0.73 | CYP2A6 (0.52) | MAOBLOXL2CYP2A6CA12CA2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1175385-A1 | D-MANNITOL DERIVATIVES AS HIV ASPARTYL PROTEASE INHIBITORS | Pharmacor Inc. (CA) | 2002-01-30 | — | — | EP | disclosed |
| WO-2000066524-A1 | D-MANNITOL DERIVATIVES AS HIV ASPARTYL PROTEASE INHIBITORS | PHARMACOR INC. (CA) | 2000-11-09 | — | — | WO | disclosed |