Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 5/20 | 0.50 |
| ▸ | CA1 | P00915 | 5/20 | 0.50 |
| ▸ | CA2 | P00918 | 5/20 | 0.50 |
| ▸ | CA9 | Q16790 | 5/20 | 0.50 |
| ▸ | ATM | Q13315 | 2/20 | 0.46 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.46 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.46 |
| ▸ | IDO1 | P14902 | 2/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | DRD2 | P14416 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | PDE4A | P27815 | 1/20 | 0.42 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.42 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.42 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.42 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL3020849 | 0.96 | CA12 (0.51) | CA12CA1CA2CA9ATM | |
| SCHEMBL1531272 | 0.95 | CA12 (0.50) | CA12CA1CA2CA9ATM | |
| SCHEMBL1667818 | 0.93 | BCHE (0.44) | CA12CA1CA2CA9ATM | |
| SCHEMBL1667842 | 0.88 | BCHE (0.44) | CA12CA1CA2CA9ATM | |
| SCHEMBL21609702 | 0.87 | CA12 (0.52) | CA12CA1CA2CA9ATM | |
| SCHEMBL21609701 | 0.87 | CA12 (0.52) | CA12CA1CA2CA9ATM | |
| SCHEMBL4007583 | 0.85 | CA12 (0.50) | CA12CA1CA2CA9IDO1 | |
| SCHEMBL2830568 | 0.83 | MTNR1A (0.67) | CA12CA1CA2CA9MTNR1A | |
| SCHEMBL443057 | 0.83 | MTNR1A (0.51) | MTNR1AMTNR1BTP53KDM4EALDH1A1 | |
| SCHEMBL2120359 | 0.82 | CA1 (0.52) | CA12CA1CA2CA9ATM |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5801170-A | Heterocyclic biphenylylamides useful as 5HT1D antagonists | SMITHKLINE BEECHAM PLC (GB) | 1998-09-01 | — | — | US | disclosed |
| EP-0733048-A1 | HETEROCYCLIC BIPHENYLYLAMIDES USEFUL AS 5HT1D ANTAGONISTS | SMITHKLINE BEECHAM PLC (GB) | 1996-09-25 | — | — | EP | disclosed |
| WO-1995015954-A1 | HETEROCYCLIC BIPHENYLYLAMIDES USEFUL AS 5HT1D ANTAGONISTS | SMITHKLINE BEECHAM PLC (GB) | 1995-06-15 | — | — | WO | disclosed |