Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 9/20 | 0.46 |
| ▸ | DRD2 | P14416 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | BACE1 | P56817 | 1/20 | 0.38 |
| ▸ | BRD4 | O60885 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | MAOA | P21397 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 1/20 | 0.35 |
| ▸ | CFTR | P13569 | 1/20 | 0.34 |
| ▸ | GOPC | Q9HD26 | 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 | |
|---|---|---|---|---|
| SCHEMBL27366981 | 0.73 | SIGMAR1 (0.44) | SIGMAR1DRD2RAB9ANPC1LMNA | |
| SCHEMBL25835236 | 0.71 | SIGMAR1 (0.42) | SIGMAR1DRD2RAB9ANPC1LMNA | |
| SCHEMBL8834868 | 0.66 | ALDH1A1 (0.42) | SIGMAR1DRD2RAB9ANPC1ALDH1A1 | |
| SCHEMBL5710208 | 0.64 | — | — | |
| SCHEMBL6993020 | 0.64 | RARA (0.43) | SIGMAR1DRD2RAB9ANPC1LMNA | |
| SCHEMBL27333093 | 0.64 | ALDH1A1 (0.46) | SIGMAR1LMNAALDH1A1HPGDBACE1 | |
| SCHEMBL8191410 | 0.63 | BACE1 (0.44) | SIGMAR1DRD2LMNAALDH1A1HPGD | |
| SCHEMBL6993248 | 0.63 | — | — | |
| SCHEMBL4331066 | 0.61 | ALDH1A1 (0.42) | RAB9ANPC1LMNAALDH1A1HPGD | |
| SCHEMBL9090930 | 0.61 | ALDH1A1 (0.42) | RAB9ANPC1LMNAALDH1A1BACE1 |
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 |