Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 5/20 | 0.55 |
| ▸ | CA1 | P00915 | 5/20 | 0.55 |
| ▸ | CA2 | P00918 | 5/20 | 0.55 |
| ▸ | CA9 | Q16790 | 5/20 | 0.55 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | DRD2 | P14416 | 4/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | SUCNR1 | Q9BXA5 | 1/20 | 0.43 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.43 |
| ▸ | BRD4 | O60885 | 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 | |
|---|---|---|---|---|
| SCHEMBL3160688 | 0.92 | CA12 (0.53) | CA12CA1CA2CA9PDK2 | |
| SCHEMBL3898684 | 0.91 | CA12 (0.53) | CA12CA1CA2CA9PDK2 | |
| SCHEMBL24301694 | 0.91 | CA12 (0.55) | CA12CA1CA2CA9PDK2 | |
| SCHEMBL7399614 | 0.91 | CA12 (0.55) | CA12CA1CA2CA9PDK2 | |
| SCHEMBL4567022 | 0.90 | CA12 (0.52) | CA12CA1CA2CA9PDK2 | |
| SCHEMBL3198347 | 0.90 | CA12 (0.51) | CA12CA1CA2CA9PDK2 | |
| SCHEMBL17874357 | 0.89 | CA12 (0.52) | CA12CA1CA2CA9PDK2 | |
| SCHEMBL3197902 | 0.88 | CA12 (0.54) | CA12CA1CA2CA9MAPT | |
| SCHEMBL3151989 | 0.88 | CA12 (0.52) | CA12CA1CA2CA9PDK2 | |
| SCHEMBL7398526 | 0.87 | CA12 (0.59) | CA12CA1CA2CA9PDK2 |
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-0714299-B1 | BENZOXAZINONE AND BENZOPYRIMIDINONE PIPERIDINYL TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS | MERCK & CO INC (US) | 2002-04-24 | — | — | EP | disclosed |
| US-5665719-A | Benzoxazinone and benzopyrimidinone piperidinyl tocolytic oxytocin receptor antagonists | MERCK & CO., INC. (US) | 1997-09-09 | — | — | US | disclosed |
| EP-0714299-A4 | — | — | 1996-07-10 | — | — | EP | disclosed |
| EP-0714299-A1 | BENZOXAZINONE AND BENZOPYRIMIDINONE PIPERIDINYL TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS | MERCK & CO. INC. (US) | 1996-06-05 | — | — | EP | disclosed |
| WO-1995002405-A1 | BENZOXAZINONE AND BENZOPYRIMIDINONE PIPERIDINYL TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 1995-01-26 | — | — | WO | disclosed |