Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.45 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.45 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.45 |
| ▸ | HTR3B | O95264 | 1/20 | 0.45 |
| ▸ | HTR3A | P46098 | 1/20 | 0.45 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.45 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | HTR6 | P50406 | 3/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | HTR1A | P08908 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL5543989 | 0.85 | TSHR (0.45) | TSHRCYP2D6CYP2C9GAAUSP2 | |
| SCHEMBL30012631 | 0.84 | SIGMAR1 (0.45) | SIGMAR1ADRB1HTR3EHTR3BHTR3A | |
| SCHEMBL14420676 | 0.79 | TSHR (0.49) | KMT2AMEN1TSHRCYP2D6CYP2C9 | |
| SCHEMBL19392089 | 0.77 | L3MBTL1 (0.40) | KMT2AMEN1PKMTSHRCYP2D6 | |
| Triphenylphosphine Oxide SCHEMBL7110277 | 0.73 | LMNA (0.47) | SIGMAR1ADRB1HTR3EHTR3BHTR3A | |
| SCHEMBL14475375 | 0.73 | ACHE (0.46) | SIGMAR1KMT2AMEN1PKMTSHR | |
| SCHEMBL14880800 | 0.72 | ADRB1 (0.46) | ADRB1HTR3APKMCYP2D6CYP2C9 | |
| SCHEMBL11556110 | 0.72 | SIGMAR1 (0.41) | SIGMAR1ADRB1HTR3EHTR3BHTR3A | |
| Phenylphosphonic Acid SCHEMBL29009405 | 0.68 | CA2 (0.73) | SIGMAR1KMT2AMEN1TSHRGAA | |
| SCHEMBL17246 | 0.68 | MAPT (0.68) | KMT2AMEN1PKMCYP2D6CYP2C9 |
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 4 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 |
| EP-1060163-A1 | NEW PIPERAZINYL-SUBSTITUTED PYRIDYLALKANE, ALKENE AND ALKINE CARBOXAMIDES | Klinge Pharma GmbH (DE) | 2000-12-20 | — | — | EP | disclosed |
| WO-1999031063-A1 | NEW PIPERAZINYL-SUBSTITUTED PYRIDYLALKANE, ALKENE AND ALKINE CARBOXAMIDES | KLINGE PHARMA GMBH (DE) | 1999-06-24 | — | — | WO | disclosed |