Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.33 |
| ▸ | HPGD | P15428 | 4/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | USP2 | O75604 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | EGLN1 | Q9GZT9 | 2/20 | 0.31 |
| ▸ | HIF1AN | Q9NWT6 | 2/20 | 0.31 |
| ▸ | BBOX1 | O75936 | 1/20 | 0.31 |
| ▸ | ASPH | Q12797 | 1/20 | 0.31 |
| ▸ | KDM8 | Q8N371 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 2/20 | 0.31 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.31 |
| ▸ | OGFOD1 | Q8N543 | 1/20 | 0.31 |
| ▸ | EGLN2 | Q96KS0 | 1/20 | 0.31 |
| ▸ | EGLN3 | Q9H6Z9 | 1/20 | 0.31 |
| ▸ | RXRA | P19793 | 1/20 | 0.30 |
| ▸ | RXRB | P28702 | 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 | |
|---|---|---|---|---|
| SCHEMBL343088 | 1.00 | ALDH1A1 (0.33) | ALDH1A1HPGDHTTSLC6A3KDM4E | |
| SCHEMBL7335663 | 0.94 | ALDH1A1 (0.38) | ALDH1A1HPGDHTTKDM4ELMNA | |
| SCHEMBL7347720 | 0.94 | ALDH1A1 (0.38) | ALDH1A1HPGDHTTKDM4ELMNA | |
| SCHEMBL30918323 | 0.80 | EPHX2 (0.42) | ALDH1A1HPGDSLC6A3LMNAMEN1 | |
| SCHEMBL6687035 | 0.77 | — | — | |
| SCHEMBL377817 | 0.74 | — | — | |
| SCHEMBL175364 | 0.74 | GRIK1 (0.36) | SLC6A3 | |
| SCHEMBL1512978 | 0.74 | GRIK1 (0.36) | SLC6A3 | |
| SCHEMBL3758731 | 0.74 | HPGD (0.35) | ALDH1A1HPGDHTTSLC6A3KDM4E | |
| Acetic Acid SCHEMBL2995772 | 0.73 | DPP4 (0.33) | ALDH1A1HPGDHTTKDM4ELMNA |
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-2621931-A1 | TETRACYCLIC INDOLE DERIVATIVES FOR TREATING HEPATITIS C VIRUS INFECTION | Merck Sharp & Dohme Corp. (US) | 2013-08-07 | — | — | EP | disclosed |
| WO-2012041014-A1 | TETRACYCLIC INDOLE DERIVATIVES FOR TREATING HEPATITIS C VIRUS INFECTION | MERCK SHARP & DOHME CORP. (US) | 2012-04-05 | — | — | WO | disclosed |