Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TNF | P01375 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | CES2 | O00748 | 2/20 | 0.31 |
| ▸ | CES1 | P23141 | 2/20 | 0.31 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.31 |
| ▸ | CLCN2 | P51788 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL12215154 | 0.81 | TNF (0.35) | TNFCYP1A2HSD17B10CES2CES1 | |
| SCHEMBL13325347 | 0.79 | ERN1 (0.37) | TNF | |
| SCHEMBL12513704 | 0.78 | TNF (0.33) | TNFADRA2ACLCN2 | |
| SCHEMBL14386121 | 0.77 | KDM4E (0.33) | — | |
| SCHEMBL10267173 | 0.76 | CYP2C19 (0.47) | TNFHSD17B10 | |
| SCHEMBL18614837 | 0.71 | ALDH1A1 (0.41) | TNFCES2CES1 | |
| SCHEMBL1558360 | 0.71 | HTR2A (0.49) | CES2CES1 | |
| SCHEMBL3567146 | 0.71 | KDM4E (0.33) | — | |
| SCHEMBL13325432 | 0.71 | ADRA2A (0.44) | TNFCYP1A2HSD17B10CES2CES1 | |
| SCHEMBL14308116 | 0.70 | CLEC4M (0.53) | CYP1A2HSD17B10 |
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-1638568-B1 | INDOLE, AZAINDOLE AND RELATED HETEROCYCLIC N-SUBSTITUTED PIPERAZINE DERIVATIVES | BRISTOL MYERS SQUIBB CO (US) | 2011-07-27 | — | — | EP | disclosed |
| EP-1474135-B9 | INDOLE, AZAINDOLE AND RELATED HETEROCYCLIC PYRROLIDINE DERIVATIVES | BRISTOL MYERS SQUIBB CO (US) | 2008-08-06 | — | — | EP | disclosed |
| EP-1474135-B1 | INDOLE, AZAINDOLE AND RELATED HETEROCYCLIC PYRROLIDINE DERIVATIVES | BRISTOL MYERS SQUIBB CO (US) | 2007-11-21 | — | — | EP | disclosed |