Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 2/20 | 0.39 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.39 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.39 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 4/20 | 0.34 |
| ▸ | CA2 | P00918 | 4/20 | 0.34 |
| ▸ | CA4 | P22748 | 4/20 | 0.34 |
| ▸ | CA9 | Q16790 | 4/20 | 0.34 |
| ▸ | PARP1 | P09874 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | REN | P00797 | 1/20 | 0.32 |
| ▸ | BIRC2 | Q13490 | 1/20 | 0.31 |
| ▸ | PDE4B | Q07343 | 3/20 | 0.31 |
| ▸ | PDE4A | P27815 | 1/20 | 0.31 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.31 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CCR3 | P51677 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL31436244 | 0.84 | NR1H2 (0.40) | PDE4B | |
| SCHEMBL31436240 | 0.84 | NR1H2 (0.40) | PDE4B | |
| SCHEMBL10416359 | 0.83 | CHRNB2 (0.42) | CHRNB2CHRNA4CHRNB4CHRNA3CA1 | |
| SCHEMBL7063658 | 0.81 | NPY2R (0.41) | CHRNB2CHRNA4CHRNB4CHRNA3CYP2D6 | |
| SCHEMBL27470540 | 0.78 | OPRM1 (0.40) | CHRNB2CHRNA4CHRNB4CHRNA3BIRC2 | |
| SCHEMBL7670875 | 0.78 | OPRM1 (0.40) | CHRNB2CHRNA4CHRNB4CHRNA3BIRC2 | |
| SCHEMBL17560422 | 0.76 | CHRNB2 (0.42) | CHRNB2CHRNA4CHRNB4CHRNA3TSHR | |
| SCHEMBL24721279 | 0.76 | BIRC2 (0.32) | PARP1BIRC2 | |
| SCHEMBL2918458 | 0.76 | BIRC2 (0.32) | PARP1BIRC2 | |
| SCHEMBL5193199 | 0.75 | MAPT (0.55) | TSHRCYP2D6CCR3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0968206-B8 | N-HETEROCYCLIC DERIVATIVES AS NOS INHIBITORS | BERLEX INC (US) | 2007-01-24 | — | — | EP | claimed |
| EP-0968206-A1 | N-HETEROCYCLIC DERIVATIVES AS NOS INHIBITORS | BERLEX LABORATORIES, INC. (US) | 2000-01-05 | — | — | EP | claimed |
| WO-1998037079-A1 | N-HETEROCYCLIC DERIVATIVES AS NOS INHIBITORS | BERLEX LABORATORIES, INC. (US) | 1998-08-27 | — | — | WO | claimed |