Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.44 |
| ▸ | CES1 | P23141 | 2/20 | 0.44 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.39 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.39 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.39 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.39 |
| ▸ | GSK3B | P49841 | 2/20 | 0.38 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.38 |
| ▸ | NOS3 | P29474 | 1/20 | 0.38 |
| ▸ | NOS1 | P29475 | 1/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.37 |
| ▸ | NQO2 | P16083 | 1/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.37 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.37 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.37 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.36 |
| ▸ | HTR3B | O95264 | 1/20 | 0.36 |
| ▸ | PLAU | P00749 | 1/20 | 0.36 |
| ▸ | HTR3A | P46098 | 1/20 | 0.36 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL23958719 | 0.79 | CES2 (0.38) | CES2CES1NOS3NOS1 | |
| SCHEMBL23958880 | 0.72 | CES2 (0.45) | CES2CES1PTGS2 | |
| SCHEMBL1474670 | 0.71 | CES2 (0.54) | CES2CES1SRD5A2NR4A1NR4A2 | |
| SCHEMBL27472277 | 0.71 | CES2 (0.72) | CES2CES1SRD5A2NR4A1NR4A2 | |
| SCHEMBL28243558 | 0.71 | CES2 (0.58) | CES2CES1SRD5A2NR4A1NR4A2 | |
| SCHEMBL28402017 | 0.69 | CES2 (0.56) | CES2CES1SRD5A2NR4A1NR4A2 | |
| SCHEMBL18348347 | 0.68 | CES2 (0.50) | CES2CES1SRD5A2NR4A1NR4A2 | |
| SCHEMBL17288598 | 0.68 | CES2 (0.61) | CES2CES1SRD5A2NR4A1NR4A2 | |
| SCHEMBL11876853 | 0.68 | CES2 (0.45) | CES2CES1SRD5A2NR4A1NR4A2 | |
| SCHEMBL11876849 | 0.68 | CES2 (0.45) | CES2CES1SRD5A2NR4A1NR4A2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021214136-A1 | RSV INHIBITING 3-SUBSTITUTED QUINOLINE AND CINNOLINE DERIVATIVES | Janssen Sciences Ireland Unlimited Company (IE) | 2021-10-28 | — | — | WO | disclosed |