Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 3/20 | 0.46 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.44 |
| ▸ | NPY2R | P49146 | 1/20 | 0.43 |
| ▸ | AR | P10275 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | XDH | P47989 | 2/20 | 0.40 |
| ▸ | MAOA | P21397 | 2/20 | 0.40 |
| ▸ | FNTA | P49354 | 1/20 | 0.40 |
| ▸ | FNTB | P49356 | 1/20 | 0.40 |
| ▸ | PGGT1B | P53609 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 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 | |
|---|---|---|---|---|
| SCHEMBL14117410 | 0.80 | XDH (0.43) | MAOBARALDH1A1KDM4ELMNA | |
| SCHEMBL6948151 | 0.80 | LTA4H (0.57) | MAOBKDM4ELMNA | |
| SCHEMBL6948018 | 0.78 | XDH (0.45) | MAOBNPY2RXDH | |
| SCHEMBL16953199 | 0.77 | AR (0.46) | NPY2RARALDH1A1KDM4ELMNA | |
| SCHEMBL5902106 | 0.77 | MAOB (0.78) | MAOBARXDHMAOA | |
| SCHEMBL15716165 | 0.76 | XDH (0.41) | MAOBARALDH1A1KDM4EXDH | |
| SCHEMBL27974134 | 0.75 | FFAR4 (0.49) | ALDH1A1KDM4E | |
| SCHEMBL30902476 | 0.75 | XDH (0.43) | MAOBARALDH1A1KDM4ELMNA | |
| SCHEMBL5451 | 0.72 | SMN1; SMN2 (0.51) | ARALDH1A1KDM4ELMNAMAPK1 | |
| SCHEMBL30283197 | 0.72 | SMN1; SMN2 (0.51) | ARALDH1A1KDM4ELMNAMAPK1 |
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 |