Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.69 |
| ▸ | CYP1A1 | P04798 | 4/20 | 0.61 |
| ▸ | CYP1B1 | Q16678 | 4/20 | 0.61 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.61 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.61 |
| ▸ | NPC1 | O15118 | 1/20 | 0.59 |
| ▸ | LMNA | P02545 | 1/20 | 0.59 |
| ▸ | TP53 | P04637 | 1/20 | 0.59 |
| ▸ | RAB9A | P51151 | 1/20 | 0.59 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.59 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.56 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.55 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.54 |
| ▸ | MAPT | P10636 | 2/20 | 0.54 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.48 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL28267297 | 1.00 | ABCG2 (0.69) | ABCG2CYP1A1CYP1B1CYP1A2CYP2D6 | |
| SCHEMBL2743991 | 0.86 | ABCG2 (0.73) | ABCG2CYP1A1CYP1B1CYP1A2CYP2D6 | |
| SCHEMBL2744097 | 0.86 | ABCG2 (0.73) | ABCG2CYP1A1CYP1B1CYP1A2CYP2D6 | |
| SCHEMBL7675485 | 0.85 | NFE2L2 (0.77) | CYP1A1CYP1B1CYP1A2CYP2D6NPC1 | |
| SCHEMBL8140880 | 0.85 | NFE2L2 (0.77) | CYP1A1CYP1B1CYP1A2CYP2D6NPC1 | |
| SCHEMBL285231 | 0.85 | ABCG2 (0.71) | ABCG2CYP1A1CYP1B1CYP1A2CYP2D6 | |
| SCHEMBL30560976 | 0.85 | ABCG2 (0.71) | ABCG2CYP1A1CYP1B1CYP1A2CYP2D6 | |
| SCHEMBL285232 | 0.85 | ABCG2 (0.71) | ABCG2CYP1A1CYP1B1CYP1A2CYP2D6 | |
| SCHEMBL1881561 | 0.85 | ABCG2 (0.71) | ABCG2CYP1A1CYP1B1CYP1A2CYP2D6 | |
| SCHEMBL1881558 | 0.85 | ABCG2 (0.71) | ABCG2CYP1A1CYP1B1CYP1A2CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023192901-A9 | QUINOLINE DERIVATIVES AS MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X2 AND RELATED PRODUCTS | ESCIENT PHARMACEUTICALS, INC. (US) | 2023-12-14 | — | — | WO | disclosed |
| WO-2023192901-A1 | QUINOLINE DERIVATIVES AS MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X2 AND RELATED PRODUCTS | ESCIENT PHARMACEUTICALS, INC. (US) | 2023-10-05 | — | — | WO | disclosed |