Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | PTPN1 | P18031 | 3/20 | 0.45 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.45 |
| ▸ | PTPN6 | P29350 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.40 |
| ▸ | CNR1 | P21554 | 2/20 | 0.39 |
| ▸ | CNR2 | P34972 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | HNF4A | P41235 | 1/20 | 0.38 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6947089 | 0.84 | PTPN1 (0.40) | ALDH1A1MEN1KMT2APTPN1PTPN2 | |
| SCHEMBL6951260 | 0.80 | TUBB4A (0.47) | ALDH1A1MEN1KMT2APTPN1PTPN2 | |
| SCHEMBL6949776 | 0.79 | ALDH1A1 (0.41) | ALDH1A1MEN1KMT2ALMNASLC6A2 | |
| SCHEMBL9192926 | 0.77 | PTPN1 (0.61) | ALDH1A1PTPN1PTPN2PTPN6LMNA | |
| SCHEMBL7077211 | 0.76 | SMN1; SMN2 (0.46) | ALDH1A1MEN1KMT2ALMNAMAPK1 | |
| SCHEMBL6947887 | 0.75 | PTPN1 (0.38) | ALDH1A1PTPN1PTPN2PTPN6LMNA | |
| Zinc Ion SCHEMBL9192923 | 0.75 | PTPN1 (0.51) | ALDH1A1PTPN1PTPN2PTPN6LMNA | |
| SCHEMBL6949242 | 0.73 | LMNA (0.42) | ALDH1A1MEN1KMT2APTPN1PTPN2 | |
| SCHEMBL2097755 | 0.70 | LTA4H (0.53) | PTPN1PTPN2PTPN6LMNACNR1 | |
| SCHEMBL6947937 | 0.70 | PTPN1 (0.43) | PTPN1PTPN2PTPN6MTNR1ACNR1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1082121-A4 | HIV INTEGRASE INHIBITORS | MERCK & CO INC (US) | 2003-02-05 | — | — | EP | disclosed |
| US-6380249-B1 | HIV integrase inhibitors | MERCK & CO., INC. | 2002-04-30 | — | — | US | disclosed |
| EP-1082121-A1 | HIV INTEGRASE INHIBITORS | Merck & Co., Inc. (US) | 2001-03-14 | — | — | EP | disclosed |
| WO-1999062520-A1 | HIV INTEGRASE INHIBITORS | MERCK & CO., INC. (US) | 1999-12-09 | — | — | WO | disclosed |