Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 5/20 | 0.42 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 5/20 | 0.41 |
| ▸ | AURKA | O14965 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.40 |
| ▸ | NPC1 | O15118 | 3/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | HTT | P42858 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.38 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.38 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL3263525 | 0.83 | RAB9A (0.43) | ADORA3RAB9AAURKASMN1; SMN2NPC1 | |
| SCHEMBL17156327 | 0.76 | ADORA3 (0.48) | ADORA3RAB9AAURKASMN1; SMN2NPC1 | |
| SCHEMBL19120728 | 0.72 | RXRA (0.40) | KDM4E | |
| SCHEMBL19120512 | 0.72 | NPC1 (0.40) | ADORA3RAB9ANPC1LMNANOTUM | |
| SCHEMBL30935060 | 0.72 | MAOB (0.45) | RAB9ASMN1; SMN2NPC1LMNACA12 | |
| SCHEMBL22386345 | 0.71 | ABCB11 (0.44) | ADORA3P2RX7RAB9ASMN1; SMN2NPC1 | |
| SCHEMBL17156295 | 0.69 | DHODH (0.39) | — | |
| SCHEMBL19253516 | 0.68 | APP (0.51) | RAB9ASMN1; SMN2NPC1 | |
| SCHEMBL23400490 | 0.67 | RAB9A (0.50) | ADORA3P2RX7RAB9ASMN1; SMN2NPC1 | |
| SCHEMBL23400147 | 0.67 | RAB9A (0.52) | ADORA3P2RX7RAB9ASMN1; SMN2NPC1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2929883-A1 | Pyrazole derivatives as dihydroorotate dehydrogenase (DHODH) inhibitors | INSTITUT PASTEUR (FR) | 2015-10-14 | — | — | EP | disclosed |