Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYSLTR1 | Q9Y271 | 8/20 | 0.65 |
| ▸ | CYSLTR2 | Q9NS75 | 7/20 | 0.65 |
| ▸ | MEN1 | O00255 | 1/20 | 0.58 |
| ▸ | NPC1 | O15118 | 1/20 | 0.58 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.58 |
| ▸ | ECE2 | P0DPD6 | 1/20 | 0.58 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.58 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.58 |
| ▸ | DHFR | P00374 | 1/20 | 0.55 |
| ▸ | RELA | Q04206 | 2/20 | 0.50 |
| ▸ | GLA | P06280 | 1/20 | 0.49 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.48 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL10402152 | 1.00 | CYSLTR1 (0.65) | CYSLTR1CYSLTR2MEN1NPC1HSP90AA1 | |
| SCHEMBL13513030 | 0.86 | CYSLTR1 (0.59) | CYSLTR1CYSLTR2MEN1NPC1KMT2A | |
| SCHEMBL19076228 | 0.84 | RELA (0.61) | CYSLTR1CYSLTR2MEN1NPC1HSP90AA1 | |
| SCHEMBL9756948 | 0.84 | CYSLTR1 (0.69) | CYSLTR1CYSLTR2MEN1NPC1KMT2A | |
| SCHEMBL9756949 | 0.84 | CYSLTR1 (0.69) | CYSLTR1CYSLTR2MEN1NPC1KMT2A | |
| SCHEMBL19076221 | 0.83 | NPC1 (0.64) | CYSLTR1CYSLTR2MEN1NPC1HSP90AA1 | |
| SCHEMBL5819160 | 0.82 | CYSLTR1 (0.57) | CYSLTR1CYSLTR2MEN1NPC1KMT2A | |
| SCHEMBL9757059 | 0.82 | CYSLTR1 (0.72) | CYSLTR1CYSLTR2MEN1NPC1KMT2A | |
| SCHEMBL9757052 | 0.82 | CYSLTR1 (0.72) | CYSLTR1CYSLTR2MEN1NPC1KMT2A | |
| SCHEMBL10401656 | 0.81 | CYSLTR1 (0.68) | CYSLTR1CYSLTR2MEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| US-4962203-A | ANTIASTHMATIC, ANTIALLERGENIC, ANTIINFLAMMATORY AND CYTOPROTECTIVE AGENTS | MERCK FROST CANADA, INC. (CA) | 1990-10-09 | — | — | US | disclosed |
| EP-0206751-A2 | 2-Substituted quinolines, their preparation and use | MERCK FROSST CANADA INC. (CA) | 1986-12-30 | — | — | EP | disclosed |