Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NFKB1 | P19838 | 3/20 | 0.54 |
| ▸ | NFKB2 | Q00653 | 3/20 | 0.54 |
| ▸ | RELA | Q04206 | 3/20 | 0.54 |
| ▸ | HTR1A | P08908 | 6/20 | 0.51 |
| ▸ | HTR1D | P28221 | 5/20 | 0.51 |
| ▸ | CA2 | P00918 | 1/20 | 0.50 |
| ▸ | DRD2 | P14416 | 3/20 | 0.48 |
| ▸ | DRD3 | P35462 | 3/20 | 0.48 |
| ▸ | DRD1 | P21728 | 2/20 | 0.48 |
| ▸ | DRD4 | P21917 | 2/20 | 0.48 |
| ▸ | DRD5 | P21918 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL21092001 | 1.00 | NFKB1 (0.54) | NFKB1NFKB2RELAHTR1AHTR1D | |
| Hydrochloric Acid SCHEMBL23388707 | 0.87 | HTR1A (0.54) | NFKB1NFKB2RELAHTR1AHTR1D | |
| SCHEMBL8844980 | 0.86 | DRD2 (0.69) | DRD2DRD3DRD1DRD4DRD5 | |
| SCHEMBL8316604 | 0.81 | NFKB1 (0.55) | NFKB1NFKB2RELAHTR1AHTR1D | |
| Hydrochloric Acid SCHEMBL7319272 | 0.80 | NFKB1 (0.54) | NFKB1NFKB2RELAHTR1AHTR1D | |
| SCHEMBL8864160 | 0.79 | DRD2 (0.72) | NFKB1NFKB2RELAHTR1AHTR1D | |
| SCHEMBL8864198 | 0.79 | DRD2 (0.72) | NFKB1NFKB2RELAHTR1AHTR1D | |
| SCHEMBL5640879 | 0.79 | DRD2 (0.72) | NFKB1NFKB2RELAHTR1AHTR1D | |
| Bromide SCHEMBL6281511 | 0.78 | DRD2 (0.70) | NFKB1NFKB2RELAHTR1AHTR1D | |
| SCHEMBL8035733 | 0.77 | HTR1A (0.67) | HTR1ADRD2DRD3DRD4 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2817299-B1 | SUBSTITUTED CHROMAN COMPOUNDS AS CALCIUM SENSING RECEPTOR MODULATORS | LUPIN LTD (IN) | 2019-06-12 | — | — | EP | disclosed |