Known targets — ChEMBL curated mechanism
BTKCACNA1CCACNA1DCACNA1FCACNA1SCACNA2D1CACNA2D2DRD2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQHRH1HTR2AP2RY12
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A known ✓ | P28223 | 1/20 | 0.38 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.43 |
| ▸ | NPY1R | P25929 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | AKT2 | P31751 | 1/20 | 0.35 |
| ▸ | APLNR | P35414 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.34 |
| ▸ | MEN1 | O00255 | 3/20 | 0.34 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.32 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.32 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | HTR6 | P50406 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL6544547 | 0.84 | OPRM1 (0.39) | OPRM1HTR2ASMN1; SMN2AKT2KMT2A | |
| Water SCHEMBL8015570 | 0.83 | OPRM1 (0.39) | OPRM1HTR2ANPY1RSMN1; SMN2AKT2 | |
| SCHEMBL4631246 | 0.72 | OPRM1 (0.56) | OPRM1HTR2ATSHRAKT2KMT2A | |
| Water SCHEMBL4629986 | 0.71 | OPRM1 (0.54) | OPRM1HTR2ATSHRAKT2APLNR | |
| Water SCHEMBL4629988 | 0.71 | OPRM1 (0.54) | OPRM1HTR2ATSHRAKT2APLNR | |
| SCHEMBL6544470 | 0.70 | TSHR (0.50) | OPRM1HTR2ATSHRSMN1; SMN2KMT2A | |
| SCHEMBL7751889 | 0.69 | MEN1 (0.55) | OPRM1TSHRSMN1; SMN2KMT2AMEN1 | |
| Piperazine SCHEMBL1589534 | 0.68 | TSHR (0.73) | TSHRSMN1; SMN2KMT2ACYP2C19HTR6 | |
| SCHEMBL378736 | 0.67 | CYP2C19 (0.63) | OPRM1KMT2AMEN1CYP2C19MAPK1 | |
| Acetic Acid SCHEMBL8333150 | 0.66 | OPRM1 (0.77) | OPRM1HTR2AAKT2KMT2AMEN1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5965580-A | TREATMENT OF SUBSTANCE P- AND NEUROKININ-DEPENDENT DISORDERS | SANOFI (FR) | 1999-10-12 | — | — | US | disclosed |
| US-5939411-A | PIPERIDINE DERIVATIVES SUBSTITUTED AT POSITION 4 WITH NEW FUNCTIONS OTHER THAN THOSE DESCRIBED PREVIOUSLY HAVE A HIGH AFFINITY FOR NEUROKININ RECEPTORS AND ARE USEFUL FOR TREATMENT OF SUBSTANCE P AND NEUROKININ DEPENDENT PATHOLOGIES | SANOFI (FR) | 1999-08-17 | — | — | US | disclosed |
| US-5830906-A | Piperidine derivatives, process for obtaining them and pharmaceutical compositions containing them | SANOFI (FR) | 1998-11-03 | — | — | US | disclosed |