Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 7/20 | 0.36 |
| ▸ | DRD3 | P35462 | 7/20 | 0.36 |
| ▸ | DRD1 | P21728 | 3/20 | 0.36 |
| ▸ | DRD5 | P21918 | 3/20 | 0.36 |
| ▸ | ESR1 | P03372 | 4/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.36 |
| ▸ | PBRM1 | Q86U86 | 1/20 | 0.34 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.33 |
| ▸ | DRD4 | P21917 | 4/20 | 0.33 |
| ▸ | HTR1A | P08908 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CASP1 | P29466 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | OPRM1 | P35372 | 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 | |
|---|---|---|---|---|
| SCHEMBL3861910 | 0.83 | DRD2 (0.36) | DRD2DRD3DRD1DRD5ESR1 | |
| SCHEMBL275808 | 0.78 | PBRM1 (0.36) | DRD2DRD3DRD1DRD5ESR1 | |
| SCHEMBL28236772 | 0.77 | PBRM1 (0.35) | DRD2DRD3DRD1DRD5ESR1 | |
| Trimethylammonium SCHEMBL27799920 | 0.76 | DRD2 (0.38) | DRD2DRD3DRD1DRD5PBRM1 | |
| SCHEMBL6832707 | 0.75 | HTR2A (0.35) | DRD2DRD3DRD4HTR1A | |
| SCHEMBL15351968 | 0.75 | TRPA1 (0.35) | — | |
| SCHEMBL15351980 | 0.75 | ACHE (0.34) | — | |
| SCHEMBL10652769 | 0.74 | FYN (0.33) | — | |
| SCHEMBL11603388 | 0.70 | DRD2 (0.42) | DRD2DRD3DRD1DRD5ESR1 | |
| SCHEMBL9995642 | 0.69 | DRD2 (0.35) | DRD2DRD3DRD1DRD5ESR1 |
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-3233078-A1 | USE OF SIGMA RECEPTOR LIGANDS IN OSTEOARTHRITIS | Laboratorios Del. Dr. Esteve, S.A. (ES) | 2017-10-25 | — | — | EP | disclosed |
| WO-2016096125-A1 | USE OF SIGMA RECEPTOR LIGANDS IN OSTEOARTHRITIS | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2016-06-23 | — | — | WO | disclosed |