Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | GFER | P55789 | 1/20 | 0.33 |
| ▸ | IDO1 | P14902 | 1/20 | 0.33 |
| ▸ | DAO | P14920 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 4/20 | 0.32 |
| ▸ | NFKB1 | P19838 | 3/20 | 0.32 |
| ▸ | RAB9A | P51151 | 3/20 | 0.32 |
| ▸ | NFKB2 | Q00653 | 3/20 | 0.32 |
| ▸ | RELA | Q04206 | 3/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | USP2 | O75604 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | CA7 | P43166 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | CA14 | Q9ULX7 | 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 | |
|---|---|---|---|---|
| SCHEMBL206363 | 0.77 | IDO1 (0.53) | ALDH1A1IDO1ALOX15NFKB1RAB9A | |
| SCHEMBL16527875 | 0.76 | GABRA1 (0.42) | ALDH1A1IDO1ALOX15NFKB1RAB9A | |
| SCHEMBL5527507 | 0.75 | IDO1 (0.34) | IDO1ALOX15NFKB1NFKB2RELA | |
| SCHEMBL4156586 | 0.74 | DAO (0.42) | DAOCA12CA1CA2CA7 | |
| SCHEMBL11620477 | 0.73 | TRPA1 (0.39) | IDO1MAPT | |
| SCHEMBL23923799 | 0.71 | APP (0.40) | ALDH1A1IDO1DAOALOX15NFKB1 | |
| SCHEMBL28059620 | 0.71 | ALDH1A1 (0.43) | ALDH1A1GFERIDO1ALOX15NFKB1 | |
| SCHEMBL27506231 | 0.71 | TRPA1 (0.47) | ALDH1A1IDO1DAOALOX15RAB9A | |
| SCHEMBL21375829 | 0.70 | ADRA2A (0.34) | ALDH1A1DAOALOX15RAB9AMAPT | |
| SCHEMBL68691 | 0.70 | GABRA1 (0.48) | ALDH1A1ALOX15NFKB1RAB9AMAPT |
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-2044063-A1 | PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER | Astra Zeneca AB (SE) | 2009-04-08 | — | — | EP | disclosed |
| WO-2008001070-A1 | PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER | ASTRAZENECA AB (SE) | 2008-01-03 | — | — | WO | disclosed |