Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 5/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.37 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.36 |
| ▸ | AR | P10275 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | CYP1B1 | Q16678 | 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 | |
|---|---|---|---|---|
| SCHEMBL13548002 | 0.81 | PTGS2 (0.39) | SMN1; SMN2KMT2APTGS2KDM4EMEN1 | |
| SCHEMBL13548085 | 0.80 | THRB (0.43) | PTGS2KDM4ELMNAALDH1A1 | |
| SCHEMBL13548084 | 0.78 | ESR2 (0.42) | SMN1; SMN2TP53 | |
| SCHEMBL13548121 | 0.76 | ALDH1A1 (0.47) | KDM4ETP53CYP3A4ALDH1A1PTGS1 | |
| SCHEMBL13548082 | 0.75 | PDE3B (0.36) | SMN1; SMN2KMT2AMEN1LMNATP53 | |
| SCHEMBL16498966 | 0.74 | MAPT (0.40) | SMN1; SMN2KMT2AKDM4EMEN1LMNA | |
| SCHEMBL28003494 | 0.74 | ALDH1A1 (0.46) | KMT2AMEN1ALDH1A1 | |
| SCHEMBL3612532 | 0.73 | THRB (0.38) | LMNA | |
| SCHEMBL13548048 | 0.71 | THRB (0.36) | LMNATP53 | |
| SCHEMBL6997168 | 0.70 | PTGS2 (0.54) | SMN1; SMN2PTGS2KDM4EALDH1A1PTGS1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0799218-B1 | DIARYL-2-(5H)-FURANONES AS COX-2 INHIBITORS | MERCK FROSST CANADA INC (CA) | 2003-02-19 | — | — | EP | disclosed |
| US-6222048-B1 | AS ANTIINFLAMMATORY, ANTIPYRETIC AND ANALGESIC AGENTS; INHIBITS HORMONE INDUCED UTERINE CONTRACTION; ANTICANCER PROPERTIES; SIDE EFFECT REDUCTION | MERCK FROSST CANADA & CO. (CA) | 2001-04-24 | — | — | US | disclosed |
| WO-1996019469-A1 | DIARYL-2-(5H)-FURANONES AS COX-2 INHIBITORS | MERCK FROSST CANADA INC. (CA) | 1996-06-27 | — | — | WO | disclosed |