Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 1/20 | 0.44 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.41 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.41 |
| ▸ | NR1H2 | P55055 | 3/20 | 0.40 |
| ▸ | NR1H3 | Q13133 | 3/20 | 0.40 |
| ▸ | ATAD2 | Q6PL18 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.39 |
| ▸ | LCK | P06239 | 1/20 | 0.37 |
| ▸ | BTK | Q06187 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL6581499 | 0.86 | NR1H2 (0.50) | S1PR1ADORA2AADORA1NR1H2NR1H3 | |
| SCHEMBL6582892 | 0.84 | ADORA2A (0.41) | S1PR1ADORA2AADORA1NR1H2NR1H3 | |
| SCHEMBL6579126 | 0.83 | NR1H2 (0.49) | S1PR1ADORA2AADORA1NR1H2NR1H3 | |
| SCHEMBL6578288 | 0.82 | S1PR1 (0.47) | S1PR1ADORA2AADORA1NR1H2NR1H3 | |
| Hydrochloric Acid SCHEMBL6578720 | 0.81 | S1PR1 (0.46) | S1PR1ADORA2AADORA1NR1H2NR1H3 | |
| SCHEMBL6581439 | 0.76 | NR1H2 (0.52) | ADORA2AADORA1NR1H2NR1H3ATAD2 | |
| Hydrochloric Acid SCHEMBL6581197 | 0.72 | S1PR1 (0.53) | S1PR1ADORA2AADORA1NR1H2NR1H3 | |
| SCHEMBL6578742 | 0.72 | NR1H2 (0.67) | S1PR1ADORA2AADORA1NR1H2NR1H3 | |
| SCHEMBL6580942 | 0.70 | HTR7 (0.46) | S1PR1ADORA2AADORA1NR1H2NR1H3 | |
| Hydrochloric Acid SCHEMBL6581027 | 0.70 | HTR7 (0.46) | S1PR1ADORA2AADORA1NR1H2NR1H3 |
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-1070708-B1 | Triazole derivatives | HOFFMANN LA ROCHE (CH) | 2004-01-14 | — | — | EP | claimed |