Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 4/20 | 0.50 |
| ▸ | DNMT1 | P26358 | 1/20 | 0.50 |
| ▸ | TTR | P02766 | 1/20 | 0.46 |
| ▸ | S100A4 | P26447 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | AHR | P35869 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 3/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 2/20 | 0.38 |
| ▸ | CA2 | P00918 | 2/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL5681748 | 0.92 | CES1 (0.52) | CES1DNMT1TTRS100A4ALDH1A1 | |
| SCHEMBL6905214 | 0.87 | TTR (0.64) | DNMT1TTRS100A4MEN1KMT2A | |
| SCHEMBL7588982 | 0.85 | TTR (0.49) | CES1DNMT1TTRS100A4CYP1A1 | |
| SCHEMBL7227264 | 0.79 | CES1 (0.42) | CES1DNMT1TTRS100A4ALDH1A1 | |
| SCHEMBL8987675 | 0.77 | HSP90AA1 (0.67) | CES1DNMT1TTRS100A4HSP90AA1 | |
| SCHEMBL31154504 | 0.77 | TTR (0.54) | CES1DNMT1TTRS100A4HSP90AA1 | |
| SCHEMBL16870940 | 0.77 | TTR (0.54) | CES1DNMT1TTRS100A4HSP90AA1 | |
| SCHEMBL23337971 | 0.72 | L3MBTL1 (0.46) | CES1DNMT1S100A4ALDH1A1MEN1 | |
| SCHEMBL9245568 | 0.72 | PPOX (0.56) | CES1DNMT1ALDH1A1MEN1KMT2A | |
| SCHEMBL2937097 | 0.71 | TSHR (0.67) | CES1TTRALDH1A1MEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| US-4096111-A | (BENZOTHIAZOLYL-THIO)-SUBSTITUTED ANTHRAQUINONES | BAYER AKTIENGESELLSCHAFT (DT) | 1978-06-20 | — | — | US | disclosed |