Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA2A | P08913 | 2/20 | 0.37 |
| ▸ | ESR1 | P03372 | 1/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | HTT | P42858 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.33 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.33 |
| ▸ | KEAP1 | Q14145 | 3/20 | 0.33 |
| ▸ | NFE2L2 | Q16236 | 3/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.33 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28830779 | 0.79 | NPC1 (0.41) | ADRA2AESR1ESR2KMT2AALDH1A1 | |
| SCHEMBL23368682 | 0.76 | SGPL1 (0.39) | — | |
| SCHEMBL23368838 | 0.74 | S1PR1 (0.42) | CYP1A2 | |
| SCHEMBL23368752 | 0.73 | S1PR1 (0.45) | CYP1A2 | |
| SCHEMBL20238711 | 0.73 | SLC6A4 (0.43) | ADRA2AKMT2AALDH1A1HTTMEN1 | |
| SCHEMBL9392874 | 0.72 | PDE4D (0.40) | ADRA2AKMT2AALDH1A1HTTMEN1 | |
| SCHEMBL29196541 | 0.71 | TDP1 (0.55) | ADRA2AKMT2AALDH1A1MEN1GAA | |
| SCHEMBL29269194 | 0.71 | TSHR (0.46) | ADRA2AKMT2AALDH1A1MEN1LMNA | |
| SCHEMBL30918749 | 0.71 | TDP1 (0.55) | ADRA2AKMT2AALDH1A1MEN1GAA | |
| SCHEMBL24023602 | 0.70 | ALDH1A1 (0.44) | KMT2AALDH1A1HTTMEN1HSP90AA1 |
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-3723801-B1 | TREATMENT OF A DISEASE OF THE GASTROINTESTINAL TRACT WITH A S1P MODULATOR | BIORA THERAPEUTICS INC (US) | 2023-06-07 | — | — | EP | disclosed |