Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.54 |
| ▸ | ERCC5 | P28715 | 3/20 | 0.43 |
| ▸ | FEN1 | P39748 | 3/20 | 0.43 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.43 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.43 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.41 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.41 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 5/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | RNASEH1 | O60930 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7830400 | 0.87 | PTPN1 (0.49) | ALDH1A1KDM4EERCC5FEN1HDAC3 | |
| SCHEMBL7818280 | 0.78 | ERCC5 (0.52) | ERCC5FEN1HDAC3HDAC4HDAC6 | |
| SCHEMBL7826766 | 0.73 | CDK2 (0.46) | ALDH1A1ERCC5FEN1HDAC3HDAC6 | |
| SCHEMBL15530378 | 0.73 | KDM4E (0.48) | ALDH1A1KDM4EHDAC3HDAC4HDAC6 | |
| SCHEMBL2435872 | 0.71 | ALDH1A1 (0.46) | ALDH1A1KDM4EHDAC3HDAC4HDAC6 | |
| SCHEMBL7832300 | 0.70 | CCNE1 (0.52) | ALDH1A1KDM4EHDAC3HDAC4HDAC6 | |
| SCHEMBL7818129 | 0.69 | ERCC5 (0.55) | ERCC5FEN1PTPN1RNASEH1NPC1 | |
| SCHEMBL31482107 | 0.69 | MLYCD (0.44) | ALDH1A1KDM4EMAPTSMN1; SMN2 | |
| SCHEMBL15531547 | 0.69 | MKNK1 (0.46) | ALDH1A1KDM4EHDAC6 | |
| SCHEMBL20487625 | 0.68 | MAPT (0.60) | ALDH1A1KDM4EERCC5FEN1HDAC6 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1086091-A4 | HIV INTEGRASE INHIBITORS | MERCK & CO INC (US) | 2001-10-10 | — | — | EP | claimed |
| US-6262055-B1 | SULFUR-CONTAINING HETEROARYL DIOXO-BUTYRIC ACID DERIVATIVES | MERCK & CO., INC. | 2001-07-17 | — | — | US | claimed |
| EP-1086091-A1 | HIV INTEGRASE INHIBITORS | Merck & Co., Inc. (a New Jersey corp.) (US) | 2001-03-28 | — | — | EP | claimed |
| WO-1999062897-A1 | HIV INTEGRASE INHIBITORS | MERCK & CO., INC. (US) | 1999-12-09 | — | — | WO | claimed |
| EP-1086091-A4 | HIV INTEGRASE INHIBITORS | MERCK & CO INC (US) | 2001-10-10 | — | — | EP | disclosed |
| US-6262055-B1 | SULFUR-CONTAINING HETEROARYL DIOXO-BUTYRIC ACID DERIVATIVES | MERCK & CO., INC. | 2001-07-17 | — | — | US | disclosed |
| EP-1086091-A1 | HIV INTEGRASE INHIBITORS | Merck & Co., Inc. (a New Jersey corp.) (US) | 2001-03-28 | — | — | EP | disclosed |
| WO-1999062897-A1 | HIV INTEGRASE INHIBITORS | MERCK & CO., INC. (US) | 1999-12-09 | — | — | WO | disclosed |