Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 6/20 | 0.48 |
| ▸ | NPC1 | O15118 | 6/20 | 0.48 |
| ▸ | RAB9A | P51151 | 5/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 4/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.48 |
| ▸ | PTGS2 | P35354 | 6/20 | 0.45 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.44 |
| ▸ | MEN1 | O00255 | 3/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | CCR1 | P32246 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.39 |
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 | 0.84 | NPC1 (0.49) | MAPTNPC1RAB9ANPSR1KDM4E | |
| SCHEMBL8216362 | 0.82 | NPC1 (0.49) | MAPTNPC1RAB9ANPSR1KDM4E | |
| SCHEMBL16911898 | 0.80 | RAB9A (0.50) | MAPTNPC1RAB9AKDM4EMEN1 | |
| SCHEMBL15401197 | 0.78 | MAPT (0.45) | MAPTNPC1RAB9ANPSR1KDM4E | |
| SCHEMBL3480589 | 0.78 | MAPT (0.49) | MAPTNPC1RAB9ANPSR1KDM4E | |
| SCHEMBL12988881 | 0.76 | PTGS2 (0.52) | MAPTNPC1RAB9ANPSR1KDM4E | |
| SCHEMBL27588789 | 0.75 | NOTUM (0.51) | MAPTNPC1RAB9ANPSR1KDM4E | |
| SCHEMBL18831321 | 0.75 | NPC1 (0.41) | MAPTNPC1RAB9ANPSR1KDM4E | |
| SCHEMBL3480540 | 0.75 | AR (0.48) | MAPTNPC1RAB9ANPSR1HTT | |
| SCHEMBL3480539 | 0.75 | MAPT (0.46) | MAPTNPC1RAB9ANPSR1KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| WO-2000018741-A2 | PYRAZOLE COMPOUNDS AS COX-2 INHIBITORS | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2000-04-06 | — | — | WO | claimed |
| WO-2000018741-A2 | PYRAZOLE COMPOUNDS AS COX-2 INHIBITORS | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2000-04-06 | — | — | WO | disclosed |