Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | BRD4 | O60885 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL11742524 | 0.92 | TSHR (0.31) | TSHR | |
| SCHEMBL10716754 | 0.87 | TSHR (0.34) | BRD4TSHR | |
| SCHEMBL10716749 | 0.87 | TSHR (0.34) | BRD4TSHR | |
| SCHEMBL12810448 | 0.79 | BRD4 (0.32) | BRD4TSHR | |
| SCHEMBL11742780 | 0.77 | SLC6A12 (0.38) | MEN1KMT2ATSHR | |
| SCHEMBL11744803 | 0.75 | MEN1 (0.31) | MEN1KMT2ABRD4 | |
| SCHEMBL2793920 | 0.74 | PTGER2 (0.35) | TSHR | |
| SCHEMBL6916806 | 0.74 | PTGER2 (0.35) | TSHR | |
| SCHEMBL18088607 | 0.74 | MEN1 (0.39) | MEN1KMT2ABRD4TSHR | |
| SCHEMBL11502808 | 0.73 | — | — |
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-4005106-A | 3β-[(Methoxalyl)oxy]-2α-(3-oxo-1-octenyl)-5-oxo-1β-cyclopentaneheptanoic acid and process | MERCK & CO., INC. (US) | 1977-01-25 | — | — | US | disclosed |
| US-3998849-A | 2α-(2-Carboxy-2-formylethyl)-3β-hydroxy-5-oxo-β-cyclopentaneheptanoic acid and process | MERCK & CO., INC. (US) | 1976-12-21 | — | — | US | disclosed |
| US-3992412-A | 2α-(2-Carboxy-2-oxoethyl)-3β-hydroxy-5-oxo-1β-cyclopentaneheptanoic acid and process | MERCK & CO., INC. (US) | 1976-11-16 | — | — | US | disclosed |
| US-3992411-A | 2α-Formyl-3β-[(methoxalyl)oxy]-5-oxo-1β-cyclopentaneheptanoic acid and process | MERCK & CO., INC. (US) | 1976-11-16 | — | — | US | disclosed |
| US-3991083-A | 2α-(2-Loweralkanoyloxy-2-carboxyvinyl)-3β-hydroxy-5-oxo-1β-c | MERCK & CO., INC. (US) | 1976-11-09 | — | — | US | disclosed |