Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | GRM8 | O00222 | 1/20 | 0.38 |
| ▸ | GRM7 | Q14831 | 1/20 | 0.38 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.37 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.35 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.35 |
| ▸ | PDE2A | O00408 | 8/20 | 0.33 |
| ▸ | PDE10A | Q9Y233 | 8/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | NQO2 | P16083 | 1/20 | 0.32 |
| ▸ | PDE6D | O43924 | 1/20 | 0.32 |
| ▸ | PDE6A | P16499 | 1/20 | 0.32 |
| ▸ | PDE6G | P18545 | 1/20 | 0.32 |
| ▸ | PDE4A | P27815 | 1/20 | 0.32 |
| ▸ | PDE6B | P35913 | 1/20 | 0.32 |
| ▸ | PDE6C | P51160 | 1/20 | 0.32 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.32 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.32 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.32 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL17452833 | 0.81 | TAAR1 (0.38) | CYP1A2GRM8GRM7TAAR1CYP1A1 | |
| SCHEMBL20504813 | 0.74 | TAAR1 (0.44) | CYP1A2GRM8GRM7TAAR1CYP1A1 | |
| SCHEMBL18052945 | 0.74 | AKR1C3 (0.39) | CYP1A2GRM8GRM7TAAR1ALDH1A1 | |
| SCHEMBL18052939 | 0.73 | AKR1C3 (0.39) | ALDH1A1NPC1HPGDRAB9ASMN1; SMN2 | |
| SCHEMBL20977767 | 0.71 | ALDH1A1 (0.41) | TAAR1ALDH1A1KDM4ENPC1TP53 | |
| SCHEMBL24136201 | 0.71 | ACLY (0.30) | — | |
| SCHEMBL20977906 | 0.69 | TDP1 (0.37) | CYP1A2ALDH1A1NPC1HPGDRAB9A | |
| SCHEMBL18053007 | 0.68 | ALDH1A1 (0.35) | CYP1A2TAAR1ALDH1A1KDM4ENPC1 | |
| SCHEMBL17452813 | 0.67 | CYP1A2 (0.39) | CYP1A2TAAR1CYP1A1CYP1B1PDE2A | |
| SCHEMBL8236956 | 0.66 | ALDH1A1 (0.53) | CYP1A2GRM8GRM7TAAR1CYP1A1 |
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-3928836-A1 | N-SUBSTITUTED INDOLE DERIVATIVES AS PGE2 RECEPTOR MODULATORS | Idorsia Pharmaceuticals Ltd (CH) | 2021-12-29 | — | — | EP | disclosed |