Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNJ1 | P48048 | 1/20 | 0.55 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.55 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.54 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.54 |
| ▸ | MAOA | P21397 | 1/20 | 0.53 |
| ▸ | MAOB | P27338 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 3/20 | 0.50 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.50 |
| ▸ | APP | P05067 | 1/20 | 0.50 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.49 |
| ▸ | LMNA | P02545 | 3/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.48 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL6014000 | 1.00 | KCNJ1 (0.55) | KCNJ1KCNH2PTGS2PTGS1MAOA | |
| SCHEMBL1930129 | 0.83 | ALDH1A1 (0.61) | PTGS2NFE2L2ALDH1A1LMNACYP1A2 | |
| SCHEMBL7655222 | 0.83 | ACHE (0.60) | PTGS2MAOAMAOBMAPTNFE2L2 | |
| SCHEMBL322726 | 0.83 | ACHE (0.60) | PTGS2MAOAMAOBMAPTNFE2L2 | |
| SCHEMBL8021579 | 0.81 | PTGS2 (0.63) | PTGS2MAPTTLR9RAB9AALDH1A1 | |
| SCHEMBL9128800 | 0.81 | PTGS2 (0.68) | PTGS2MAPTTLR9RAB9AALDH1A1 | |
| SCHEMBL1005735 | 0.80 | PTGS2 (0.78) | PTGS2PTGS1MAOAMAOBMAPT | |
| SCHEMBL14880486 | 0.80 | PTGS2 (0.63) | KCNJ1KCNH2PTGS2PTGS1MAOA | |
| SCHEMBL1005734 | 0.80 | PTGS2 (0.78) | PTGS2PTGS1MAOAMAOBMAPT | |
| SCHEMBL14880488 | 0.80 | KCNJ1 (0.63) | KCNJ1KCNH2MAPTAPPRAB9A |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2776382-B1 | 18F-SACCHARIDE-FOLATES | Merck & Cie (CH) | 2018-09-19 | — | — | EP | disclosed |
| EP-1086077-B1 | NOVEL ANTIESTROGENS, A METHOD FOR THE PRODUCTION THEREOF, AND THEIR PHARMACEUTICAL APPLICATION | SCHERING AG (DE) | 2004-04-07 | — | — | EP | disclosed |
| WO-2000040612-A9 | INSULIN-LIKE GROWTH FACTOR (IGF) I MUTANT VARIANTS | GENENTECH INC (US) | 2001-03-22 | — | — | WO | disclosed |
| US-6096883-A | 3-hydroxy gamma-lactone based enantioselective synthesis of azetidinones | SCHERING CORPORATION (US) | 2000-08-01 | — | — | US | disclosed |
| EP-0127636-A1 | COMPOUNDS CONTAINING BETA-LACTAMS | BEECHAM GROUP PLC (GB) | 1984-12-12 | — | — | EP | disclosed |
| WO-1984002134-A1 | COMPOUNDS CONTAINING beta-LACTAMS | BEECHAM GROUP PLC (GB) | 1984-06-07 | — | — | WO | disclosed |