Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 3/20 | 0.46 |
| ▸ | CES1 | P23141 | 2/20 | 0.42 |
| ▸ | MAOA | P21397 | 2/20 | 0.38 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.36 |
| ▸ | S100A4 | P26447 | 1/20 | 0.36 |
| ▸ | BCHE | P06276 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 2/20 | 0.33 |
| ▸ | SRD5A1 | P18405 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.32 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.32 |
| ▸ | RELA | Q04206 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | CYP2A6 | P11509 | 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 | |
|---|---|---|---|---|
| SCHEMBL19504384 | 0.83 | ACHE (0.40) | ACHEALDH1A1 | |
| SCHEMBL10025821 | 0.75 | ALDH1A1 (0.34) | ACHEALDH1A1TDP1 | |
| SCHEMBL225315 | 0.68 | MEN1 (0.41) | ACHECES1MAOAS100A4BCHE | |
| SCHEMBL12672548 | 0.68 | MEN1 (0.41) | ACHECES1MAOAS100A4BCHE | |
| SCHEMBL29726351 | 0.68 | MEN1 (0.41) | ACHECES1MAOAS100A4BCHE | |
| SCHEMBL27278459 | 0.68 | CES1 (0.40) | ACHECES1MAOAS100A4BCHE | |
| SCHEMBL28750604 | 0.67 | MEN1 (0.39) | ACHECES1MAOAS100A4BCHE | |
| SCHEMBL31123671 | 0.66 | ACHE (0.59) | ACHECES1MAOAAKR1B1S100A4 | |
| SCHEMBL86279 | 0.66 | ACHE (0.59) | ACHECES1MAOAAKR1B1S100A4 | |
| SCHEMBL31510701 | 0.66 | ACHE (0.59) | ACHECES1MAOAAKR1B1S100A4 |
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-1060163-B1 | NEW PIPERAZINYL-SUBSTITUTED PYRIDYLALKANE, ALKENE AND ALKINE CARBOXAMIDES | KLINGE CO CHEM PHARM FAB (DE) | 2005-10-12 | — | — | EP | disclosed |
| US-6903118-B1 | Piperazinyl-substituted pyridylalkane, alkene and alkine carboxamides | KLINGE PHARMA GMBH (DE) | 2005-06-07 | — | — | US | disclosed |