Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.47 |
| ▸ | HPGD | P15428 | 2/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | METAP2 | P50579 | 1/20 | 0.44 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 4/20 | 0.39 |
| ▸ | CA2 | P00918 | 4/20 | 0.39 |
| ▸ | CA9 | Q16790 | 4/20 | 0.39 |
| ▸ | CA12 | O43570 | 2/20 | 0.39 |
| ▸ | CA3 | P07451 | 2/20 | 0.39 |
| ▸ | CA4 | P22748 | 2/20 | 0.39 |
| ▸ | CA6 | P23280 | 2/20 | 0.39 |
| ▸ | CA7 | P43166 | 2/20 | 0.39 |
| ▸ | CA13 | Q8N1Q1 | 2/20 | 0.39 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL4735612 | 0.87 | ALDH1A1 (0.54) | ALDH1A1KDM4EHPGDHSD17B10MAPT | |
| SCHEMBL4564260 | 0.84 | IKBKB (0.52) | ALDH1A1KDM4EHPGDHSD17B10MAPT | |
| SCHEMBL2854688 | 0.81 | KDM4E (0.50) | ALDH1A1KDM4EHPGDHSD17B10MAPT | |
| SCHEMBL9843838 | 0.80 | ALDH1A1 (0.60) | ALDH1A1KDM4EHSD17B10TSHRKMT2A | |
| SCHEMBL30177551 | 0.79 | ALDH1A1 (0.50) | ALDH1A1KDM4EHPGDHSD17B10MAPT | |
| SCHEMBL940131 | 0.78 | ALDH1A1 (0.60) | ALDH1A1KDM4EMAPTTSHRFOLH1 | |
| SCHEMBL25435653 | 0.77 | TAAR1 (0.57) | TSHRCA1CA2CA9CA12 | |
| SCHEMBL31054164 | 0.77 | MAPT (0.48) | ALDH1A1KDM4EHPGDHSD17B10MAPT | |
| SCHEMBL363595 | 0.77 | BCAT2 (0.48) | ALDH1A1KDM4EHPGDHSD17B10MAPT | |
| SCHEMBL731621 | 0.77 | HMGB1 (0.55) | ALDH1A1KDM4EHPGDHSD17B10MAPT |
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-2606038-A1 | COMPOUNDS FOR THE TREATMENT OF HEPATITIS C | Bristol-Myers Squibb Company (US) | 2013-06-26 | — | — | EP | disclosed |
| WO-2012024373-A1 | COMPOUNDS FOR THE TREATMENT OF HEPATITIS C | BRISTOL-MYERS SQUIBB COMPANY (US) | 2012-02-23 | — | — | WO | disclosed |