Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 2/20 | 0.57 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.57 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.49 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.49 |
| ▸ | GFER | P55789 | 2/20 | 0.48 |
| ▸ | FNTA | P49354 | 2/20 | 0.46 |
| ▸ | FNTB | P49356 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 3/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | HTR1A | P08908 | 4/20 | 0.44 |
| ▸ | DRD3 | P35462 | 4/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.44 |
| ▸ | CHRM2 | P08172 | 3/20 | 0.44 |
| ▸ | ADRA2A | P08913 | 3/20 | 0.44 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.44 |
| ▸ | DRD1 | P21728 | 3/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.44 |
| ▸ | ADRA1A | P35348 | 3/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL8568308 | 0.74 | HDAC6 (0.56) | HDAC1HDAC6FNTAFNTBLMNA | |
| SCHEMBL20562284 | 0.70 | PTGS1 (0.60) | PTGS1PTGS2GFERFNTAFNTB | |
| SCHEMBL9100585 | 0.70 | HDAC1 (0.51) | HDAC1HDAC6LMNAKMT2AMEN1 | |
| SCHEMBL9396083 | 0.67 | PTGS1 (1.00) | PTGS1PTGS2GFERLMNAKMT2A | |
| SCHEMBL31298153 | 0.67 | PTGS1 (1.00) | PTGS1PTGS2GFERLMNAKMT2A | |
| SCHEMBL7932819 | 0.67 | PTGS1 (0.69) | PTGS1PTGS2GFERLMNAKMT2A | |
| SCHEMBL9100577 | 0.67 | HDAC1 (0.42) | HDAC1HDAC6PTGS1PTGS2CYP2D6 | |
| SCHEMBL16316914 | 0.66 | PTGS1 (0.73) | PTGS1PTGS2GFERLMNAKMT2A | |
| SCHEMBL5192838 | 0.66 | BCHE (0.50) | HDAC1HDAC6HTR2ABCHENOX1 | |
| SCHEMBL5435400 | 0.66 | BCHE (0.47) | GFERKMT2AHTR1ADRD3CYP2D6 |
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-5861394-A | COMPOUNDS AS ANTIISCHEMIC AGENTS, TREATMENT OF STROKES, ANTIHEMORRHEGENIC AGENTS, ANTIDEPRESSANTS OR TREATMENT OF SICKKLE CELL ANEMIA | BAYER AKTIENGESELLSCHAFT (DE) | 1999-01-19 | — | — | US | disclosed |