Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.53 |
| ▸ | USP2 | O75604 | 1/20 | 0.53 |
| ▸ | TSHR | P16473 | 1/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.53 |
| ▸ | HPGD | P15428 | 2/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | STAT3 | P40763 | 1/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.40 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.40 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.40 |
| ▸ | CDK1 | P06493 | 1/20 | 0.40 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.40 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.40 |
| ▸ | CDK2 | P24941 | 1/20 | 0.40 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL4205180 | 0.97 | ALDH1A1 (0.55) | ALDH1A1USP2TSHRHSD17B10HPGD | |
| SCHEMBL4205968 | 0.96 | ALDH1A1 (0.56) | ALDH1A1USP2TSHRHSD17B10HPGD | |
| SCHEMBL13947735 | 0.92 | HPGD (0.52) | ALDH1A1USP2TSHRHSD17B10HPGD | |
| SCHEMBL18655533 | 0.89 | HPGD (0.51) | ALDH1A1USP2TSHRHSD17B10HPGD | |
| SCHEMBL4206891 | 0.85 | NR4A2 (0.44) | ALDH1A1USP2TSHRHSD17B10HPGD | |
| SCHEMBL24906243 | 0.83 | LMNA (0.53) | ALDH1A1USP2TSHRHSD17B10HPGD | |
| SCHEMBL23115819 | 0.83 | ALDH1A1 (0.56) | ALDH1A1USP2TSHRHSD17B10HPGD | |
| SCHEMBL24906205 | 0.78 | LMNA (0.48) | ALDH1A1USP2TSHRHSD17B10HPGD | |
| SCHEMBL4196581 | 0.78 | ALDH1A1 (0.41) | ALDH1A1USP2TSHRHSD17B10HPGD | |
| SCHEMBL4196583 | 0.78 | ALDH1A1 (0.41) | ALDH1A1USP2TSHRHSD17B10HPGD |
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-1758585-A4 | HIV INTEGRASE INHIBITORS | MERCK & CO INC (US) | 2009-07-22 | — | — | EP | disclosed |
| EP-1758585-A2 | HIV INTEGRASE INHIBITORS | Merck & Co., Inc. (US) | 2007-03-07 | — | — | EP | disclosed |
| WO-2005120516-A2 | HIV INTEGRASE INHIBITORS | MERCK & CO., INC. (US) | 2005-12-22 | — | — | WO | disclosed |