Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 4/20 | 0.58 |
| ▸ | DRD2 | P14416 | 2/20 | 0.58 |
| ▸ | LMNA | P02545 | 2/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.55 |
| ▸ | NPY1R | P25929 | 1/20 | 0.55 |
| ▸ | HTT | P42858 | 1/20 | 0.55 |
| ▸ | NPY2R | P49146 | 1/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.55 |
| ▸ | BCHE | P06276 | 4/20 | 0.54 |
| ▸ | GAA | P10253 | 1/20 | 0.54 |
| ▸ | ABCB1 | P08183 | 6/20 | 0.51 |
| ▸ | TRPV6 | Q9H1D0 | 1/20 | 0.50 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.47 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.47 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.47 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL3178663 | 0.80 | HTR1A (0.67) | HTR1ADRD2LMNAKDM4EKMT2A | |
| SCHEMBL7650855 | 0.80 | HTR1A (0.67) | HTR1ADRD2LMNAKDM4ENPY1R | |
| SCHEMBL8322313 | 0.78 | HTR1A (0.63) | HTR1ADRD2LMNAKDM4EKMT2A | |
| SCHEMBL3150720 | 0.77 | HTR1A (0.61) | HTR1ADRD2LMNAKDM4EKMT2A | |
| SCHEMBL2238594 | 0.76 | CA12 (0.57) | HTR1ADRD2LMNASMN1; SMN2GAA | |
| SCHEMBL10784832 | 0.75 | HTR1A (0.73) | HTR1ADRD2GAAABCB1ABCG2 | |
| SCHEMBL13009607 | 0.75 | HTR1A (0.68) | HTR1ADRD2KMT2AGAAABCB1 | |
| SCHEMBL17197391 | 0.74 | HTR1A (0.79) | HTR1ADRD2LMNAKDM4EKMT2A | |
| SCHEMBL4183309 | 0.74 | HTR1A (1.00) | HTR1ADRD2ABCB1ABCG2 | |
| SCHEMBL13009542 | 0.74 | PTGER1 (0.51) | HTR1ADRD2LMNAKDM4ENPY1R |
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-0593615-B1 | AROMATIC COMPOUNDS, COMPOSITIONS CONTAINING THEM AND THEIR USE IN THERAPY | MERCK SHARP & DOHME (GB) | 1996-01-31 | — | — | EP | disclosed |