Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 6/20 | 0.46 |
| ▸ | MAOB | P27338 | 6/20 | 0.46 |
| ▸ | KLKB1 | P03952 | 2/20 | 0.44 |
| ▸ | CTSB | P07858 | 1/20 | 0.44 |
| ▸ | MMP9 | P14780 | 1/20 | 0.44 |
| ▸ | DNMT1 | P26358 | 1/20 | 0.44 |
| ▸ | DNMT3B | Q9UBC3 | 1/20 | 0.44 |
| ▸ | DNMT3L | Q9UJW3 | 1/20 | 0.44 |
| ▸ | DNMT3A | Q9Y6K1 | 1/20 | 0.44 |
| ▸ | LCK | P06239 | 1/20 | 0.41 |
| ▸ | HNF4A | P41235 | 1/20 | 0.40 |
| ▸ | KAT8 | Q9H7Z6 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | PLG | P00747 | 1/20 | 0.37 |
| ▸ | KLK1 | P06870 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL8569507 | 0.86 | MAOA (0.46) | MAOAMAOBKLKB1CTSBMMP9 | |
| SCHEMBL5916694 | 0.84 | KLKB1 (0.65) | KLKB1CTSBMMP9DNMT1DNMT3B | |
| SCHEMBL13302505 | 0.80 | KLKB1 (0.68) | MAOAMAOBKLKB1CTSBMMP9 | |
| SCHEMBL21035765 | 0.80 | LCK (0.61) | MAOAMAOBKLKB1CTSBMMP9 | |
| SCHEMBL925372 | 0.78 | TRPA1 (0.57) | MAOAMAOBKLKB1CTSBMMP9 | |
| SCHEMBL8568065 | 0.78 | MAOA (0.50) | MAOAMAOBKLKB1CTSBMMP9 | |
| SCHEMBL11069204 | 0.77 | CA1 (0.54) | KDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL11337098 | 0.77 | MAOA (0.53) | MAOAMAOBKLKB1CTSBMMP9 | |
| SCHEMBL21632307 | 0.77 | PLG (0.49) | MAOAMAOBKLKB1CTSBMMP9 | |
| SCHEMBL312283 | 0.77 | MAOA (0.49) | MAOAMAOBKLKB1CTSBMMP9 |
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-0431943-B1 | Spiro(pyran)piperidine derivatives | MERCK & CO INC (US) | 1998-07-15 | — | — | EP | disclosed |
| US-5633247-A | ANTIARRTHYMIA AGENT | MERCK & CO., INC. (US) | 1997-05-27 | — | — | US | disclosed |
| US-5206240-A | Antiarrhythmia agents | MERCK & CO., INC. (US) | 1993-04-27 | — | — | US | disclosed |
| EP-0431943-A2 | Nitrogen-containing spirocycles | MERCK & CO. INC. (US) | 1991-06-12 | — | — | EP | disclosed |