Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RARA | P10276 | 3/20 | 0.43 |
| ▸ | RARB | P10826 | 3/20 | 0.43 |
| ▸ | RARG | P13631 | 3/20 | 0.43 |
| ▸ | RXRA | P19793 | 1/20 | 0.43 |
| ▸ | NR2E1 | Q9Y466 | 1/20 | 0.43 |
| ▸ | SIGMAR1 | Q99720 | 6/20 | 0.38 |
| ▸ | BACE1 | P56817 | 1/20 | 0.38 |
| ▸ | DRD2 | P14416 | 4/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | MAOA | P21397 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | NR2F2 | P24468 | 1/20 | 0.35 |
| ▸ | CFTR | P13569 | 1/20 | 0.34 |
| ▸ | GOPC | Q9HD26 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL27468872 | 0.68 | SIGMAR1 (0.57) | SIGMAR1DRD2 | |
| SCHEMBL6261635 | 0.67 | RARB (0.57) | RARARARBRARGRXRANR2E1 | |
| SCHEMBL28041808 | 0.65 | RARA (0.35) | RARARARBRARGRXRANR2E1 | |
| SCHEMBL14675492 | 0.65 | BACE1 (0.34) | RARARARBRARGRXRANR2E1 | |
| SCHEMBL22780739 | 0.64 | RARA (0.35) | RARARARBRARGRXRANR2E1 | |
| SCHEMBL6996637 | 0.64 | SIGMAR1 (0.46) | SIGMAR1BACE1DRD2NPC1RAB9A | |
| SCHEMBL7259290 | 0.63 | PTGS2 (0.53) | ALDH1A1LMNA | |
| SCHEMBL22715989 | 0.63 | — | — | |
| SCHEMBL8191410 | 0.63 | BACE1 (0.44) | SIGMAR1BACE1DRD2MAOAMAOB | |
| SCHEMBL8834868 | 0.61 | ALDH1A1 (0.42) | SIGMAR1BACE1DRD2NPC1RAB9A |
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 4 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 |
| EP-0799218-A1 | DIARYL-2-(5H)-FURANONES AS COX-2 INHIBITORS | MERCK FROSST CANADA INC. (CA) | 1997-10-08 | — | — | EP | disclosed |
| WO-1996019469-A1 | DIARYL-2-(5H)-FURANONES AS COX-2 INHIBITORS | MERCK FROSST CANADA INC. (CA) | 1996-06-27 | — | — | WO | disclosed |