Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCHE | P06276 | 11/20 | 0.52 |
| ▸ | PTGER1 | P34995 | 2/20 | 0.46 |
| ▸ | PTGER4 | P35408 | 2/20 | 0.46 |
| ▸ | PTGER3 | P43115 | 2/20 | 0.46 |
| ▸ | PTGER2 | P43116 | 2/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.45 |
| ▸ | HTR1A | P08908 | 1/20 | 0.45 |
| ▸ | DRD2 | P14416 | 1/20 | 0.45 |
| ▸ | ABCB1 | P08183 | 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 | |
|---|---|---|---|---|
| SCHEMBL8542129 | 0.90 | PTGER1 (0.47) | BCHEPTGER1PTGER4PTGER3PTGER2 | |
| SCHEMBL4521331 | 0.85 | L3MBTL1 (0.47) | BCHEL3MBTL1 | |
| SCHEMBL7825818 | 0.85 | LTB4R (0.51) | BCHEL3MBTL1 | |
| SCHEMBL7646792 | 0.82 | HTR1A (0.51) | BCHEPTGER1PTGER4PTGER3PTGER2 | |
| SCHEMBL4512033 | 0.79 | TAAR1 (0.43) | L3MBTL1 | |
| SCHEMBL19153323 | 0.77 | HDAC3 (0.52) | L3MBTL1 | |
| SCHEMBL1845821 | 0.75 | HTR1A (0.48) | PTGER1PTGER4PTGER3PTGER2L3MBTL1 | |
| SCHEMBL4520986 | 0.75 | REN (0.37) | L3MBTL1DRD2 | |
| SCHEMBL7835952 | 0.75 | LTB4R (0.52) | BCHEL3MBTL1 | |
| SCHEMBL4519565 | 0.74 | TAAR1 (0.45) | L3MBTL1 |
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-0815105-A1 | HETEROCYCLIC SUBSTITUTED PIPERAZINONE DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONISTS | HOECHST MARION ROUSSEL, INC. (US) | 1998-01-07 | — | — | EP | disclosed |
| WO-1996028441-A1 | HETEROCYCLIC SUBSTITUTED PIPERAZINONE DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONISTS | HOECHST MARION ROUSSEL, INC. (US) | 1996-09-19 | — | — | WO | disclosed |