Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KEAP1 | Q14145 | 1/20 | 0.33 |
| ▸ | EGLN1 | Q9GZT9 | 3/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | F2 | P00734 | 1/20 | 0.31 |
| ▸ | F10 | P00742 | 1/20 | 0.31 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.31 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.31 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.31 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.31 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.31 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.31 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.31 |
| ▸ | HDAC8 | Q9BY41 | 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 | |
|---|---|---|---|---|
| SCHEMBL4493594 | 0.89 | GAA (0.39) | KEAP1EGLN1ALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL4483198 | 0.86 | GAA (0.42) | KEAP1EGLN1ALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL6509987 | 0.86 | GAA (0.36) | KEAP1EGLN1ALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL4490423 | 0.78 | GAA (0.42) | KEAP1EGLN1ALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL4502970 | 0.75 | EGLN1 (0.45) | EGLN1ALDH1A1CYP1A2CYP2C19SMN1; SMN2 | |
| SCHEMBL4477518 | 0.70 | GAA (0.42) | KEAP1EGLN1ALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL4484200 | 0.69 | LMNA (0.36) | ALDH1A1SMN1; SMN2KMT2AMEN1L3MBTL1 | |
| SCHEMBL5814580 | 0.69 | TNIK (0.33) | EGLN1 | |
| SCHEMBL4492762 | 0.67 | EGLN1 (0.47) | EGLN1ALDH1A1CYP1A2CYP2C19SMN1; SMN2 | |
| SCHEMBL1335829 | 0.67 | MEN1 (0.37) | ALDH1A1SMN1; SMN2KMT2AMEN1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1725556-A1 | HIV INTEGRASE INHIBITORS | Merck & Co., Inc. (US) | 2006-11-29 | — | — | EP | disclosed |
| WO-2005087768-A1 | HIV INTEGRASE INHIBITORS | MERCK & CO., INC. (US) | 2005-09-22 | — | — | WO | disclosed |
| WO-2005087767-A1 | HIV INTEGRASE INHIBITORS | MERCK & CO., INC. (US) | 2005-09-22 | — | — | WO | disclosed |