Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.34 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 2/20 | 0.33 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.32 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.32 |
| ▸ | HTR2A | P28223 | 2/20 | 0.32 |
| ▸ | HTR2C | P28335 | 2/20 | 0.32 |
| ▸ | RELA | Q04206 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL11830162 | 0.94 | ALDH1A1 (0.35) | ALDH1A1MAPTACHEHRH3NR3C1 | |
| SCHEMBL11829034 | 0.87 | NR3C1 (0.45) | ALDH1A1MAPTNR3C1MEN1KMT2A | |
| SCHEMBL11822790 | 0.86 | ALDH1A1 (0.36) | ALDH1A1MAPTNR3C1MAOBMAPKAPK2 | |
| SCHEMBL11833577 | 0.80 | HTR2A (0.49) | ALDH1A1MAPTHRH3NR3C1MEN1 | |
| SCHEMBL11831830 | 0.78 | KMT2A (0.38) | ALDH1A1MAPTMEN1KMT2ATP53 | |
| SCHEMBL11824800 | 0.76 | KMT2A (0.45) | MAOBMEN1KMT2ATP53HTR2A | |
| SCHEMBL11829736 | 0.74 | AHR (0.40) | ALDH1A1MEN1KMT2ATSHRHSD17B1 | |
| SCHEMBL31545185 | 0.72 | MAPKAPK2 (0.44) | ALDH1A1MAPTACHENR3C1MAOB | |
| SCHEMBL16772571 | 0.72 | MAPKAPK2 (0.44) | ALDH1A1MAPTACHENR3C1MAOB | |
| SCHEMBL11839849 | 0.72 | ALDH1A1 (0.41) | ALDH1A1MAPTNR3C1MEN1KMT2A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-3961069-A | ANTISECRETORY AGENTS, GASTRIC ACID | SMITHKLINE CORPORATION (US) | 1976-06-01 | — | — | US | disclosed |