Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | LMNA | P02545 | 3/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | ERCC5 | P28715 | 4/20 | 0.38 |
| ▸ | FEN1 | P39748 | 4/20 | 0.38 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL6951272 | 0.90 | KDM4E (0.43) | KDM4ELMNATDP1ERCC5FEN1 | |
| SCHEMBL6948187 | 0.88 | ERCC5 (0.40) | SMN1; SMN2KDM4ELMNATDP1L3MBTL1 | |
| SCHEMBL6949341 | 0.86 | KDM4E (0.52) | SMN1; SMN2KDM4ELMNATDP1ALDH1A1 | |
| SCHEMBL6947879 | 0.82 | ERCC5 (0.41) | KDM4ELMNATDP1L3MBTL1ERCC5 | |
| Dimethylamine SCHEMBL6947623 | 0.81 | LMNA (0.46) | SMN1; SMN2KDM4ELMNAERCC5FEN1 | |
| SCHEMBL6950058 | 0.81 | ERCC5 (0.39) | KDM4ELMNATDP1ERCC5FEN1 | |
| SCHEMBL6951318 | 0.81 | ERCC5 (0.39) | SMN1; SMN2KDM4ELMNAL3MBTL1ERCC5 | |
| Dimethylamine SCHEMBL6950061 | 0.80 | IDO1 (0.44) | KDM4ELMNATDP1ERCC5FEN1 | |
| SCHEMBL6946203 | 0.79 | LMNA (0.46) | KDM4ELMNAERCC5FEN1PTPN1 | |
| SCHEMBL6947887 | 0.79 | PTPN1 (0.38) | KDM4ELMNATDP1L3MBTL1ERCC5 |
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 |