Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.39 |
| ▸ | BACE1 | P56817 | 3/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.37 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.37 |
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
| ▸ | HRH1 | P35367 | 1/20 | 0.37 |
| ▸ | CTSS | P25774 | 1/20 | 0.36 |
| ▸ | CTSK | P43235 | 1/20 | 0.36 |
| ▸ | BRD4 | O60885 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL4519925 | 0.90 | MAPT (0.41) | MAPTL3MBTL1RIPK1BACE1NPSR1 | |
| SCHEMBL4519926 | 0.90 | MAPT (0.41) | MAPTL3MBTL1RIPK1BACE1NPSR1 | |
| SCHEMBL4532673 | 0.90 | MAPT (0.41) | MAPTL3MBTL1RIPK1BACE1NPSR1 | |
| SCHEMBL7826165 | 0.88 | BACE1 (0.39) | MAPTL3MBTL1RIPK1BACE1HDAC3 | |
| SCHEMBL27838374 | 0.88 | BACE1 (0.39) | MAPTL3MBTL1RIPK1BACE1HDAC3 | |
| SCHEMBL19153323 | 0.81 | HDAC3 (0.52) | L3MBTL1RIPK1BACE1NPSR1HDAC3 | |
| SCHEMBL14103842 | 0.81 | SSTR4 (0.44) | L3MBTL1RIPK1BACE1HDAC3HDAC1 | |
| SCHEMBL30987151 | 0.78 | NPSR1 (0.51) | L3MBTL1BACE1NPSR1HDAC3HDAC1 | |
| SCHEMBL4521282 | 0.78 | L3MBTL1 (0.40) | MAPTL3MBTL1NPSR1CYP2C19HDAC3 | |
| SCHEMBL15282516 | 0.78 | TSHR (0.40) | L3MBTL1NPSR1HDAC3HDAC1HDAC2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0815105-B1 | HETEROCYCLIC SUBSTITUTED PIPERAZINONE DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONISTS | AVENTIS PHARMA INC (US) | 2001-10-04 | — | — | EP | disclosed |
| US-5864045-A | Heterocyclic substituted piperazinone derivatives | HOECHST MARION ROUSSEL, INC. (US) | 1999-01-26 | — | — | US | disclosed |
| US-5840726-A | Heterocyclic substituted piperazinone derivatives | HOECHST MARION ROUSSEL INC. (US) | 1998-11-24 | — | — | US | disclosed |
| 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 |