Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 3/20 | 0.51 |
| ▸ | BRD4 | O60885 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | NR4A2 | P43354 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.43 |
| ▸ | CDK2 | P24941 | 1/20 | 0.43 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.43 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.42 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.42 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL7081312 | 0.84 | MAOB (0.54) | MAOBALDH1A1NR4A2MEN1KMT2A | |
| SCHEMBL4159497 | 0.84 | PARP10 (0.51) | MAOBBRD4NR4A2MEN1KMT2A | |
| SCHEMBL7828346 | 0.79 | ERCC5 (0.55) | BRD4NR4A2MEN1KMT2ANPC1 | |
| SCHEMBL22777801 | 0.78 | NR4A2 (0.58) | NR4A2MEN1KMT2AHTTNR4A1 | |
| SCHEMBL11303656 | 0.75 | CYP1A2 (0.50) | MAOBALDH1A1MEN1KMT2AL3MBTL1 | |
| SCHEMBL20239585 | 0.73 | GSK3B (0.43) | ALDH1A1L3MBTL1MAPTCYP2C9CYP2C19 | |
| SCHEMBL3411329 | 0.72 | LMNA (0.46) | ALDH1A1NPC1SMN1; SMN2L3MBTL1MAPT | |
| SCHEMBL1733525 | 0.71 | FFAR1 (0.43) | ALDH1A1NR4A2L3MBTL1MAPTCYP2C19 | |
| SCHEMBL7077550 | 0.71 | LMNA (0.51) | ALDH1A1MEN1KMT2ANPC1SMN1; SMN2 | |
| SCHEMBL2145369 | 0.71 | LMNA (0.48) | ALDH1A1NPC1SMN1; SMN2L3MBTL1MAPT |
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-1086091-A4 | HIV INTEGRASE INHIBITORS | MERCK & CO INC (US) | 2001-10-10 | — | — | EP | disclosed |
| US-6262055-B1 | SULFUR-CONTAINING HETEROARYL DIOXO-BUTYRIC ACID DERIVATIVES | MERCK & CO., INC. | 2001-07-17 | — | — | US | disclosed |
| EP-1086091-A1 | HIV INTEGRASE INHIBITORS | Merck & Co., Inc. (a New Jersey corp.) (US) | 2001-03-28 | — | — | EP | disclosed |
| WO-1999062897-A1 | HIV INTEGRASE INHIBITORS | MERCK & CO., INC. (US) | 1999-12-09 | — | — | WO | disclosed |