Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 2/20 | 0.46 |
| ▸ | PARP1 | P09874 | 2/20 | 0.46 |
| ▸ | HAO1 | Q9UJM8 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.44 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.44 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.43 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.43 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.43 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.43 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.43 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.43 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.43 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.43 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL9977220 | 0.83 | HDAC1 (0.54) | GSK3BPARP1HAO1ALDH1A1MAPT | |
| SCHEMBL2708907 | 0.80 | SDCBP (0.51) | PARP1ALDH1A1CA1CA2KMT2A | |
| SCHEMBL203074 | 0.80 | SDCBP (0.51) | PARP1ALDH1A1CA1CA2KMT2A | |
| SCHEMBL10187752 | 0.79 | GSK3B (0.55) | GSK3BHAO1ALDH1A1MAPTGAA | |
| SCHEMBL11071677 | 0.79 | KMT2A (0.54) | GSK3BHAO1ALDH1A1MAPTHDAC1 | |
| SCHEMBL5640455 | 0.78 | GSK3B (0.50) | GSK3BPARP1HAO1ALDH1A1MAPT | |
| SCHEMBL11558787 | 0.76 | HAO1 (0.54) | GSK3BHAO1ALDH1A1MAPTGAA | |
| SCHEMBL7963547 | 0.75 | GSK3B (0.55) | GSK3BHAO1ALDH1A1MAPTGAA | |
| SCHEMBL20245203 | 0.75 | HDAC1 (0.49) | GSK3BPARP1ALDH1A1MAPTHDAC1 | |
| SCHEMBL17656310 | 0.75 | TAS1R3 (0.41) | PARP1ALDH1A1MAPTGAAPOLB |
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-3002281-B1 | ANTIVIRAL COMPOUNDS | GILEAD PHARMASSET LLC (US) | 2017-09-13 | — | — | EP | disclosed |
| EP-3002281-A1 | ANTIVIRAL COMPOUNDS | Gilead Pharmasset LLC (US) | 2016-04-06 | — | — | EP | disclosed |