Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.66 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.66 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.66 |
| ▸ | MAPT | P10636 | 1/20 | 0.66 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.58 |
| ▸ | RECQL | P46063 | 2/20 | 0.58 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.58 |
| ▸ | HCAR2 | Q8TDS4 | 2/20 | 0.50 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.50 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.38 |
| ▸ | GFPT1 | Q06210 | 1/20 | 0.31 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | TYR | P14679 | 1/20 | 0.31 |
| ▸ | CA7 | P43166 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL30404058 | 0.86 | ALDH1A1 (0.85) | ALDH1A1TDP1KDM4EMAPTALOX15 | |
| SCHEMBL25460630 | 0.81 | ALDH1A1 (0.77) | ALDH1A1TDP1KDM4EMAPTALOX15 | |
| SCHEMBL29378795 | 0.81 | ALDH1A1 (0.77) | ALDH1A1TDP1KDM4EMAPTALOX15 | |
| Bixin SCHEMBL29959685 | 0.79 | ALDH1A1 (1.00) | ALDH1A1TDP1KDM4EMAPTALOX15 | |
| Bixin SCHEMBL29939591 | 0.79 | ALDH1A1 (1.00) | ALDH1A1TDP1KDM4EMAPTALOX15 | |
| Bixin SCHEMBL42729 | 0.79 | ALDH1A1 (1.00) | ALDH1A1TDP1KDM4EMAPTALOX15 | |
| Bixin SCHEMBL9939959 | 0.79 | ALDH1A1 (1.00) | ALDH1A1TDP1KDM4EMAPTALOX15 | |
| SCHEMBL12189497 | 0.78 | ALDH1A1 (0.72) | ALDH1A1TDP1KDM4EMAPTALOX15 | |
| SCHEMBL23658005 | 0.78 | ALDH1A1 (0.72) | ALDH1A1TDP1KDM4EMAPTALOX15 | |
| SCHEMBL1408587 | 0.77 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2005004861-A1 | A USE OF NOVEL 2-OXO-HETEROCYCLIC COMPOUNDS AND THE PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME | KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) | 2005-01-20 | — | — | WO | disclosed |
| WO-2004101523-A1 | NOVEL 2-OXO-HETEROCYCLIC COMPOUNDS AND THE PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME | KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) | 2004-11-25 | — | — | WO | disclosed |