Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.37 |
| ▸ | TDP2 | O95551 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9204906 | 0.89 | TDP2 (0.40) | CES1TP53MDM2TDP2 | |
| SCHEMBL9201592 | 0.86 | TDP2 (0.50) | CES1TDP2 | |
| SCHEMBL9200363 | 0.86 | CNR1 (0.41) | CES1TDP2 | |
| SCHEMBL9201736 | 0.85 | MAOA (0.39) | — | |
| SCHEMBL9202065 | 0.84 | TYR (0.38) | — | |
| SCHEMBL9206458 | 0.83 | ALDH1A1 (0.38) | — | |
| SCHEMBL9206927 | 0.83 | MAOA (0.42) | — | |
| SCHEMBL9203295 | 0.83 | CES1 (0.38) | CES1TP53MDM2 | |
| SCHEMBL9206643 | 0.83 | MEN1 (0.41) | CES1TP53MDM2TDP2 | |
| SCHEMBL9203599 | 0.82 | DNMT3A (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0459561-B1 | Dioxo-tetrahydroquinoline derivatives | MERCK SHARP & DOHME (GB) | 1995-09-20 | — | — | EP | claimed |
| EP-0459561-A2 | Dioxo-tetrahydroquinoline derivatives | MERCK SHARP & DOHME LTD. (GB) | 1991-12-04 | — | — | EP | claimed |
| EP-0459561-B1 | Dioxo-tetrahydroquinoline derivatives | MERCK SHARP & DOHME (GB) | 1995-09-20 | — | — | EP | disclosed |
| US-5268378-A | Oxo group in 2 and 4 position | MERCK SHARP & DOHME, LIMITED (GB) | 1993-12-07 | — | — | US | disclosed |
| EP-0459561-A2 | Dioxo-tetrahydroquinoline derivatives | MERCK SHARP & DOHME LTD. (GB) | 1991-12-04 | — | — | EP | disclosed |