Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRR1 | P24046 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL14298997 | 0.74 | PTGES (0.35) | KMT2AALDH1A1 | |
| SCHEMBL23190831 | 0.73 | GABRR1 (0.33) | GABRR1CYP3A4CYP1A2CYP2D6TSHR | |
| SCHEMBL13262943 | 0.73 | ALDH1A1 (0.33) | GABRR1ALDH1A1 | |
| SCHEMBL25034675 | 0.71 | — | — | |
| SCHEMBL26573335 | 0.70 | KCNH2 (0.33) | GABRR1 | |
| SCHEMBL28643823 | 0.68 | — | — | |
| SCHEMBL386334 | 0.68 | — | — | |
| SCHEMBL8122200 | 0.68 | — | — | |
| SCHEMBL26564402 | 0.67 | GABRR1 (0.31) | GABRR1CYP1A2ALDH1A1 | |
| SCHEMBL21501028 | 0.66 | GABRR1 (0.30) | GABRR1CYP1A2 |
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-2661428-B1 | QUINOXALINES AND AZA-QUINOXALINES AS CRTH2 RECEPTOR MODULATORS | MERCK SHARP & DOHME (US) | 2017-06-07 | — | — | EP | disclosed |