Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.44 |
| ▸ | TSHR | P16473 | 3/20 | 0.43 |
| ▸ | CA1 | P00915 | 2/20 | 0.43 |
| ▸ | CA2 | P00918 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 5/20 | 0.41 |
| ▸ | RAB9A | P51151 | 4/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.41 |
| ▸ | XBP1 | P17861 | 1/20 | 0.41 |
| ▸ | MPI | P34949 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL31419803 | 0.83 | ALDH1A1 (0.44) | SLC6A3ALDH1A1MAPK1TSHRNPC1 | |
| SCHEMBL4145743 | 0.83 | MGLL (0.54) | ALDH1A1MAPK1CA1CA2SMN1; SMN2 | |
| SCHEMBL29825386 | 0.83 | MGLL (0.54) | ALDH1A1MAPK1CA1CA2SMN1; SMN2 | |
| SCHEMBL21933 | 0.82 | ALDH1A1 (0.48) | ALDH1A1MAPK1CA1CA2SMN1; SMN2 | |
| Benzene SCHEMBL28163950 | 0.82 | ALDH1A1 (0.48) | ALDH1A1MAPK1CA1CA2SMN1; SMN2 | |
| SCHEMBL29838597 | 0.82 | ALDH1A1 (0.48) | ALDH1A1MAPK1CA1CA2SMN1; SMN2 | |
| SCHEMBL31364709 | 0.81 | ABL1 (0.52) | ALDH1A1MEN1KMT2AENPP2HPGD | |
| SCHEMBL1853561 | 0.81 | CA2 (0.44) | ALDH1A1MAPK1TSHRCA1CA2 | |
| Methyl Alcohol SCHEMBL28631854 | 0.80 | ALDH1A1 (0.46) | ALDH1A1MAPK1CA1CA2SMN1; SMN2 | |
| Water SCHEMBL29954878 | 0.80 | ALDH1A1 (0.46) | ALDH1A1MAPK1CA1CA2SMN1; SMN2 |
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-0598093-B1 | QUINUCLIDINE DERIVATIVES AS SQUALENE SYNTHETASE INHIBITORS | ZENECA LTD (GB) | 1997-11-19 | — | — | EP | disclosed |
| US-5554613-A | QUINUCLIDINE DERIVATIVES, QUALENE SYNTHASE INHIBITORS, TREATMENT OF HYPERCHOLESTEROLEMIA, ATHEROSCLEROSIS AND FUNGUS INFECTIONS | ZENECA LIMITED (GB) | 1996-09-10 | — | — | US | disclosed |
| EP-0598093-A1 | QUINUCLIDINE DERIVATIVES AS SQUALENE SYNTHETASE INHIBITORS | ZENECA LIMITED (GB) | 1994-05-25 | — | — | EP | disclosed |
| WO-1993024486-A1 | QUINUCLIDINE DERIVATIVES AS SQUALENE SYNTHETASE INHIBITORS | ZENECA LIMITED (GB) | 1993-12-09 | — | — | WO | disclosed |