Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADCY1 | Q08828 | 13/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 5/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.40 |
| ▸ | TSHR | P16473 | 3/20 | 0.40 |
| ▸ | SLC2A1 | P11166 | 3/20 | 0.40 |
| ▸ | NR1I2 | O75469 | 2/20 | 0.40 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | GMNN | O75496 | 1/20 | 0.40 |
| ▸ | BLM | P54132 | 1/20 | 0.40 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.40 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.40 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.40 |
| ▸ | HTR1A | P08908 | 1/20 | 0.40 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL20794206 | 0.87 | ADCY1 (0.52) | ADCY1MAPK1CYP3A4TSHRSLC2A1 | |
| SCHEMBL20794207 | 0.87 | ADCY1 (0.52) | ADCY1MAPK1CYP3A4TSHRSLC2A1 | |
| SCHEMBL905267 | 0.87 | ADCY1 (0.52) | ADCY1MAPK1CYP3A4TSHRSLC2A1 | |
| SCHEMBL22186645 | 0.87 | ADCY1 (0.52) | ADCY1MAPK1CYP3A4TSHRSLC2A1 | |
| SCHEMBL9736306 | 0.83 | ADCY1 (0.42) | ADCY1MAPK1CYP3A4TSHRSLC2A1 | |
| SCHEMBL9736857 | 0.80 | ADCY1 (0.40) | ADCY1MAPK1CYP3A4TSHRSLC2A1 | |
| SCHEMBL29930556 | 0.78 | ADCY1 (0.35) | ADCY1MAPK1CYP3A4TSHRSLC2A1 | |
| SCHEMBL24402196 | 0.77 | MAPK1 (0.47) | ADCY1MAPK1CYP3A4TSHRSLC2A1 | |
| SCHEMBL9444465 | 0.75 | MAPK1 (0.45) | ADCY1MAPK1CYP3A4TSHRSLC2A1 | |
| SCHEMBL21585135 | 0.74 | MAPK1 (0.40) | ADCY1MAPK1CYP3A4TSHRSLC2A1 |
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-0193132-B1 | LABDAN-DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS | HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) | 1991-04-17 | — | — | EP | disclosed |