Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGER1 | P34995 | 2/20 | 0.47 |
| ▸ | PTGER4 | P35408 | 2/20 | 0.47 |
| ▸ | PTGER3 | P43115 | 2/20 | 0.47 |
| ▸ | PTGER2 | P43116 | 2/20 | 0.47 |
| ▸ | HTR1A | P08908 | 2/20 | 0.46 |
| ▸ | DRD2 | P14416 | 2/20 | 0.46 |
| ▸ | BCHE | P06276 | 4/20 | 0.43 |
| ▸ | ABCB1 | P08183 | 3/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | SLC1A5 | Q15758 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL8540237 | 0.90 | BCHE (0.52) | PTGER1PTGER4PTGER3PTGER2HTR1A | |
| SCHEMBL1846485 | 0.84 | MEN1 (0.44) | L3MBTL1 | |
| SCHEMBL7835952 | 0.84 | LTB4R (0.52) | BCHEL3MBTL1 | |
| SCHEMBL7646792 | 0.82 | HTR1A (0.51) | PTGER1PTGER4PTGER3PTGER2HTR1A | |
| SCHEMBL4289433 | 0.81 | L3MBTL1 (0.44) | HTR1AL3MBTL1 | |
| SCHEMBL2722481 | 0.77 | HDAC3 (0.53) | L3MBTL1 | |
| SCHEMBL1845821 | 0.76 | HTR1A (0.48) | PTGER1PTGER4PTGER3PTGER2HTR1A | |
| SCHEMBL8526592 | 0.76 | KDM4E (0.40) | PTGER1PTGER4PTGER3PTGER2L3MBTL1 | |
| SCHEMBL31153832 | 0.75 | L3MBTL1 (0.43) | L3MBTL1 | |
| SCHEMBL22513467 | 0.75 | MEN1 (0.51) | PTGER1PTGER4PTGER3PTGER2HTR1A |
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 |