Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | PTPN1 | P18031 | 4/20 | 0.43 |
| ▸ | ERCC5 | P28715 | 4/20 | 0.43 |
| ▸ | FEN1 | P39748 | 4/20 | 0.43 |
| ▸ | HAO1 | Q9UJM8 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | HNF4A | P41235 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | HTT | P42858 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | S1PR2 | O95136 | 1/20 | 0.39 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL6946203 | 0.85 | LMNA (0.46) | ALDH1A1NPSR1KDM4EPTPN1ERCC5 | |
| SCHEMBL6951239 | 0.84 | HAO1 (0.43) | KDM4EPTPN1ERCC5FEN1HAO1 | |
| Dimethylamine SCHEMBL6947623 | 0.84 | LMNA (0.46) | ALDH1A1NPSR1KDM4EPTPN1ERCC5 | |
| SCHEMBL6943334 | 0.83 | ERCC5 (0.41) | PTPN1ERCC5FEN1HAO1HNF4A | |
| SCHEMBL6948223 | 0.82 | NPC1 (0.47) | PTPN1ERCC5FEN1HAO1HNF4A | |
| SCHEMBL6947620 | 0.80 | LTA4H (0.50) | ALDH1A1KDM4ESMN1; SMN2LMNAGAA | |
| SCHEMBL6951604 | 0.80 | HAO1 (0.41) | ALDH1A1PTPN1ERCC5FEN1HAO1 | |
| SCHEMBL6943341 | 0.80 | ERCC5 (0.42) | PTPN1ERCC5FEN1HAO1HNF4A | |
| SCHEMBL5148099 | 0.79 | IDO1 (0.44) | ALDH1A1KDM4EPTPN1ERCC5FEN1 | |
| SCHEMBL6945630 | 0.78 | HAO1 (0.42) | PTPN1ERCC5FEN1HAO1HNF4A |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6380249-B1 | HIV integrase inhibitors | MERCK & CO., INC. | 2002-04-30 | — | — | US | 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 |