Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NFKB1 | P19838 | 7/20 | 0.55 |
| ▸ | NFKB2 | Q00653 | 7/20 | 0.55 |
| ▸ | RELA | Q04206 | 7/20 | 0.55 |
| ▸ | HTR1A | P08908 | 1/20 | 0.49 |
| ▸ | HTR1D | P28221 | 1/20 | 0.49 |
| ▸ | HCRTR1 | O43613 | 2/20 | 0.45 |
| ▸ | HCRTR2 | O43614 | 2/20 | 0.45 |
| ▸ | SMPD1 | P17405 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | DRD2 | P14416 | 1/20 | 0.42 |
| ▸ | DRD4 | P21917 | 1/20 | 0.42 |
| ▸ | DRD3 | P35462 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL7319272 | 0.99 | NFKB1 (0.54) | NFKB1NFKB2RELAHTR1AHTR1D | |
| SCHEMBL21092001 | 0.81 | NFKB1 (0.54) | NFKB1NFKB2RELAHTR1AHTR1D | |
| SCHEMBL21091998 | 0.81 | NFKB1 (0.54) | NFKB1NFKB2RELAHTR1AHTR1D | |
| SCHEMBL7319517 | 0.78 | NFKB1 (0.52) | NFKB1NFKB2RELAHCRTR1HCRTR2 | |
| SCHEMBL7395318 | 0.78 | NFKB1 (0.52) | NFKB1NFKB2RELAHTR1AHTR1D | |
| SCHEMBL8317135 | 0.78 | CYP2D6 (0.43) | NFKB1NFKB2RELAHCRTR1HCRTR2 | |
| SCHEMBL7321215 | 0.77 | HTR1A (0.56) | NFKB1NFKB2RELAHTR1AHTR1D | |
| SCHEMBL7317381 | 0.77 | HTR1A (0.56) | NFKB1NFKB2RELAHTR1AHTR1D | |
| SCHEMBL7307892 | 0.77 | HTR1A (0.56) | NFKB1NFKB2RELAHTR1AHTR1D | |
| SCHEMBL7318030 | 0.77 | HTR1A (0.56) | NFKB1NFKB2RELAHTR1AHTR1D |
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-0540914-B1 | 2-Aminomethylchromans as active ingredients in medicaments for the treatment of diseases of the central nervous system | BAYER AG (DE) | 1999-06-02 | — | — | EP | disclosed |
| EP-0540914-A1 | 2-Aminomethylchromans as active ingredients in medicaments for the treatment of diseases of the central nervous system | BAYER AG (DE) | 1993-05-12 | — | — | EP | disclosed |