Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CFD | P00746 | 1/20 | 0.40 |
| ▸ | EGFR | P00533 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | GFER | P55789 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | CA7 | P43166 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.37 |
| ▸ | KIF11 | P52732 | 3/20 | 0.36 |
| ▸ | GLA | P06280 | 2/20 | 0.36 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.36 |
| ▸ | ACLY | P53396 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL27372885 | 0.76 | TAAR1 (0.37) | ALDH1A1GAAGFERKDM4EMAPT | |
| SCHEMBL5281937 | 0.75 | MTNR1A (0.49) | ALDH1A1KDM4ENR3C2L3MBTL1 | |
| SCHEMBL27479366 | 0.74 | CFD (0.54) | CFDALDH1A1GAAKDM4EMAPT | |
| SCHEMBL5273139 | 0.74 | NR3C2 (0.45) | ALDH1A1KDM4EMAPTNR3C2L3MBTL1 | |
| SCHEMBL25285645 | 0.74 | IAPP (0.51) | EGFRALDH1A1GAAGFERKDM4E | |
| SCHEMBL30311288 | 0.73 | AKR1B1 (0.61) | EGFRALDH1A1GAAGFERKDM4E | |
| SCHEMBL392976 | 0.73 | AKR1B1 (0.61) | EGFRALDH1A1GAAGFERKDM4E | |
| SCHEMBL2981629 | 0.72 | ALDH1A1 (0.50) | EGFRALDH1A1GAAGFERKDM4E | |
| Methane SCHEMBL9292057 | 0.72 | AKR1B1 (0.59) | EGFRALDH1A1GAAGFERKDM4E | |
| SCHEMBL8147897 | 0.71 | GABRA1 (0.52) | CFDEGFRALDH1A1GAAGFER |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1133484-A2 | HETEROCYCLIC DERIVATIVES AND THEIR USE AS INTEGRIN INHIBITORS | AstraZeneca AB (SE) | 2001-09-19 | — | — | EP | disclosed |
| WO-2000005223-A2 | HETEROCYCLIC DERIVATIVES AND THEIR USE AS INTEGRIN INHIBITORS | ASTRAZENECA AB (SE) | 2000-02-03 | — | — | WO | disclosed |