Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 5/20 | 0.49 |
| ▸ | MAPT | P10636 | 5/20 | 0.49 |
| ▸ | RAB9A | P51151 | 4/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | PTGS2 | P35354 | 5/20 | 0.40 |
| ▸ | CCR1 | P32246 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.38 |
| ▸ | PRMT6 | Q96LA8 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL16911209 | 0.83 | NPC1 (0.49) | NPC1MAPTRAB9ANPSR1KDM4E | |
| SCHEMBL8201676 | 0.82 | MAPT (0.48) | NPC1MAPTRAB9ANPSR1KDM4E | |
| SCHEMBL15476076 | 0.79 | SUV39H2 (0.40) | NPC1MAPTRAB9ANPSR1POLB | |
| SCHEMBL24051557 | 0.78 | NPC1 (0.44) | NPC1MAPTRAB9ANPSR1KDM4E | |
| SCHEMBL31110406 | 0.78 | NPC1 (0.44) | NPC1MAPTRAB9ANPSR1KDM4E | |
| SCHEMBL12988881 | 0.77 | PTGS2 (0.52) | NPC1MAPTRAB9ANPSR1KDM4E | |
| SCHEMBL15876687 | 0.77 | ABCB11 (0.38) | NPC1MAPTRAB9ANPSR1KDM4E | |
| SCHEMBL3216783 | 0.77 | NPC1 (0.44) | NPC1MAPTRAB9ANPSR1KDM4E | |
| SCHEMBL27588789 | 0.77 | NOTUM (0.51) | NPC1MAPTRAB9ANPSR1KDM4E | |
| SCHEMBL15876568 | 0.76 | ELOVL1 (0.43) | NPC1MAPTRAB9ANPSR1KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| WO-2000018741-A2 | PYRAZOLE COMPOUNDS AS COX-2 INHIBITORS | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2000-04-06 | — | — | WO | claimed |