Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TNF | P01375 | 2/20 | 0.33 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.32 |
| ▸ | CLCN2 | P51788 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL12513768 | 0.78 | TNF (0.35) | TNFADRA2ACLCN2 | |
| SCHEMBL12215154 | 0.78 | TNF (0.35) | TNFADRA2ACLCN2 | |
| SCHEMBL13325347 | 0.75 | ERN1 (0.37) | TNF | |
| SCHEMBL10267173 | 0.75 | CYP2C19 (0.47) | TNF | |
| SCHEMBL13325432 | 0.71 | ADRA2A (0.44) | TNFADRA2ACLCN2 | |
| SCHEMBL4393222 | 0.69 | HTR1A (0.40) | TNFADRA2ACLCN2 | |
| SCHEMBL18614837 | 0.68 | ALDH1A1 (0.41) | TNF | |
| SCHEMBL1558360 | 0.68 | HTR2A (0.49) | — | |
| SCHEMBL1275907 | 0.68 | ADRA2A (0.50) | ADRA2ACLCN2 | |
| SCHEMBL14386121 | 0.68 | KDM4E (0.33) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1638568-B1 | INDOLE, AZAINDOLE AND RELATED HETEROCYCLIC N-SUBSTITUTED PIPERAZINE DERIVATIVES | BRISTOL MYERS SQUIBB CO (US) | 2011-07-27 | — | — | EP | disclosed |