Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 2/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
| ▸ | CHKA | P35790 | 1/20 | 0.41 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.40 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.40 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.40 |
| ▸ | CHRNB3 | Q05901 | 1/20 | 0.40 |
| ▸ | CHRNA6 | Q15825 | 1/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.35 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.32 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | HSP90AA1 | P07900 | 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 | |
|---|---|---|---|---|
| SCHEMBL1387901 | 0.77 | — | — | |
| SCHEMBL2848691 | 0.73 | CA2 (0.50) | CA2CA12CA1CA9CHKA | |
| SCHEMBL2942429 | 0.71 | CA2 (0.46) | CA2CA12CA1CA9CHKA | |
| SCHEMBL10365576 | 0.69 | — | — | |
| SCHEMBL1196263 | 0.67 | — | — | |
| SCHEMBL8267139 | 0.67 | — | — | |
| SCHEMBL610815 | 0.67 | — | — | |
| SCHEMBL28780146 | 0.67 | CA2 (0.52) | CA2CA12CA1CA9CHKA | |
| SCHEMBL6087964 | 0.67 | CA2 (0.39) | CA2CA12CA1CA9CHKA | |
| SCHEMBL9678620 | 0.67 | CA2 (0.48) | CA2CA12CA1CA9CHKA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2162451-A2 | PIPERAZINYL OXOALKYL TETRAHYDRO-BETA-CARBOLINES AND RELATED ANALOGUES | Neurogen Corporation (US) | 2010-03-17 | — | — | EP | disclosed |
| WO-2009003003-A2 | PIPERAZINYL OXOALKYL TETRAHYDRO-BETA-CARBOLINES AND RELATED ANALOGUES | NEUROGEN CORPORATION (US) | 2008-12-31 | — | — | WO | disclosed |