Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | GSK3B | P49841 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | TERT | O14746 | 1/20 | 0.31 |
| ▸ | ELANE | P08246 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | DPP4 | P27487 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9977160 | 0.84 | ALDH1A1 (0.47) | ALDH1A1TSHRMDM2HTTKDM4E | |
| SCHEMBL18213981 | 0.81 | GSK3B (0.43) | ALDH1A1TSHRMDM2GSK3BMAPT | |
| SCHEMBL205246 | 0.77 | PTPN1 (0.46) | GSK3BMAPT | |
| SCHEMBL15692785 | 0.75 | MAPT (0.47) | ALDH1A1TSHRMDM2GSK3BKDM4E | |
| SCHEMBL18871030 | 0.75 | MAPT (0.47) | ALDH1A1TSHRMDM2GSK3BKDM4E | |
| SCHEMBL18829438 | 0.75 | L3MBTL1 (0.35) | ALDH1A1TSHRMDM2HTTKDM4E | |
| SCHEMBL203386 | 0.73 | NPC1 (0.42) | ROCK2ALDH1A1TSHRKDM4EHPGD | |
| SCHEMBL2708423 | 0.73 | NPC1 (0.42) | ROCK2ALDH1A1TSHRKDM4EHPGD | |
| SCHEMBL16577350 | 0.73 | NPC1 (0.47) | ALDH1A1TSHRMDM2HTTKDM4E | |
| SCHEMBL7432130 | 0.72 | ALDH1A1 (0.52) | ALDH1A1TSHRMDM2HTTHPGD |
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 |
|---|---|---|---|---|---|---|---|
| EP-3002281-B1 | ANTIVIRAL COMPOUNDS | GILEAD PHARMASSET LLC (US) | 2017-09-13 | — | — | EP | disclosed |