Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCNE1 | P24864 | 2/20 | 0.67 |
| ▸ | CDK2 | P24941 | 2/20 | 0.67 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.67 |
| ▸ | RAB9A | P51151 | 8/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.50 |
| ▸ | NPC1 | O15118 | 5/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
| ▸ | SCD | O00767 | 1/20 | 0.46 |
| ▸ | VNN1 | O95497 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL4255759 | 0.88 | SCD (0.56) | CCNE1CDK2CDK5RAB9ASMN1; SMN2 | |
| SCHEMBL18541822 | 0.83 | CDK2 (0.68) | CCNE1CDK2CDK5MMP3 | |
| SCHEMBL7826766 | 0.82 | CDK2 (0.46) | CCNE1CDK2CDK5RAB9ASMN1; SMN2 | |
| SCHEMBL12715517 | 0.75 | MAPK14 (0.53) | CCNE1CDK2CDK5RAB9ASMN1; SMN2 | |
| SCHEMBL8277838 | 0.75 | TP53 (0.54) | CDK2CDK5NPC1ALDH1A1GAA | |
| SCHEMBL3501166 | 0.75 | KDR (0.53) | CCNE1CDK2CDK5RAB9ASMN1; SMN2 | |
| SCHEMBL772882 | 0.75 | MAPK14 (0.77) | MAPK13MAPK12MAPK11MAPK14 | |
| SCHEMBL7828370 | 0.74 | HDAC6 (0.43) | CCNE1CDK2CDK5RAB9ASMN1; SMN2 | |
| SCHEMBL21332912 | 0.74 | CCNE1 (0.56) | CCNE1CDK2CDK5RAB9ASMN1; SMN2 | |
| SCHEMBL13467941 | 0.73 | CCNE1 (0.56) | CCNE1CDK2CDK5RAB9ASMN1; SMN2 |
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 |