Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN1 | P18031 | 6/20 | 0.40 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.40 |
| ▸ | PTPN6 | P29350 | 1/20 | 0.40 |
| ▸ | ERCC5 | P28715 | 5/20 | 0.40 |
| ▸ | FEN1 | P39748 | 5/20 | 0.40 |
| ▸ | CNR1 | P21554 | 2/20 | 0.38 |
| ▸ | CNR2 | P34972 | 2/20 | 0.38 |
| ▸ | MMP1 | P03956 | 1/20 | 0.37 |
| ▸ | MMP9 | P14780 | 1/20 | 0.37 |
| ▸ | MMP13 | P45452 | 1/20 | 0.37 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.37 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL6947887 | 0.88 | PTPN1 (0.38) | PTPN1PTPN2PTPN6ERCC5FEN1 | |
| SCHEMBL6947937 | 0.87 | PTPN1 (0.43) | PTPN1PTPN2PTPN6ERCC5FEN1 | |
| SCHEMBL6944964 | 0.84 | ALDH1A1 (0.46) | PTPN1PTPN2PTPN6CNR1CNR2 | |
| SCHEMBL6947888 | 0.84 | ERCC5 (0.42) | PTPN1PTPN2PTPN6ERCC5FEN1 | |
| SCHEMBL6946973 | 0.82 | KDM4E (0.46) | PTPN1ERCC5FEN1ALDH1A1MEN1 | |
| Dimethylamine SCHEMBL6947095 | 0.81 | ERCC5 (0.50) | PTPN1ERCC5FEN1CNR1CNR2 | |
| SCHEMBL6943825 | 0.81 | ERCC5 (0.43) | PTPN1PTPN2PTPN6ERCC5FEN1 | |
| SCHEMBL6947664 | 0.79 | MEN1 (0.43) | ALDH1A1MEN1KMT2AKDM4E | |
| SCHEMBL6949373 | 0.78 | ERCC5 (0.49) | PTPN1ERCC5FEN1CNR1CNR2 | |
| SCHEMBL6943490 | 0.78 | ALDH1A1 (0.45) | ALDH1A1MEN1KMT2AKDM4E |
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-1082121-A4 | HIV INTEGRASE INHIBITORS | MERCK & CO INC (US) | 2003-02-05 | — | — | EP | claimed |
| US-6380249-B1 | HIV integrase inhibitors | MERCK & CO., INC. | 2002-04-30 | — | — | US | claimed |
| EP-1082121-A1 | HIV INTEGRASE INHIBITORS | Merck & Co., Inc. (US) | 2001-03-14 | — | — | EP | claimed |
| WO-1999062520-A1 | HIV INTEGRASE INHIBITORS | MERCK & CO., INC. (US) | 1999-12-09 | — | — | WO | claimed |
| 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 |