Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCG2 | Q9UNQ0 | 2/20 | 0.53 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.53 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | AAK1 | Q2M2I8 | 3/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | MAOB | P27338 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | GFER | P55789 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL7650717 | 0.99 | ABCG2 (0.53) | ABCG2ABCB1PDE4BALDH1A1MAPK1 | |
| SCHEMBL6602631 | 0.95 | ABCG2 (0.48) | ABCG2ABCB1PDE4BALDH1A1MAPK1 | |
| SCHEMBL6606959 | 0.93 | ABCG2 (0.47) | ABCG2ABCB1PDE4BALDH1A1MAPK1 | |
| SCHEMBL6601874 | 0.93 | ABCG2 (0.47) | ABCG2ABCB1PDE4BALDH1A1SMN1; SMN2 | |
| SCHEMBL6600756 | 0.92 | PDE4B (0.49) | ABCG2ABCB1PDE4BALDH1A1MAPK1 | |
| SCHEMBL6601996 | 0.91 | ABCG2 (0.48) | ABCG2ABCB1PDE4BALDH1A1LMNA | |
| SCHEMBL6604710 | 0.90 | LMNA (0.51) | ABCG2ABCB1PDE4BALDH1A1MAPK1 | |
| Hydrochloric Acid SCHEMBL7646587 | 0.89 | LMNA (0.50) | ABCG2ABCB1PDE4BALDH1A1MAPK1 | |
| SCHEMBL147544 | 0.88 | LMNA (0.51) | ABCG2ABCB1PDE4BALDH1A1AAK1 | |
| Hydrochloric Acid SCHEMBL7650133 | 0.88 | LMNA (0.50) | ABCG2ABCB1PDE4BALDH1A1AAK1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0922036-B1 | ARYLALKANOYL PYRIDAZINES | MERCK PATENT GMBH (DE) | 2004-03-24 | — | — | EP | disclosed |