Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 2/20 | 0.48 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.48 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.48 |
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.45 |
| ▸ | MAOA | P21397 | 3/20 | 0.45 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.45 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.45 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.45 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.45 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.45 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.45 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.45 |
| ▸ | SCN4A | P35499 | 3/20 | 0.43 |
| ▸ | LMNA | P02545 | 3/20 | 0.43 |
| ▸ | HTR2B | P41595 | 3/20 | 0.43 |
| ▸ | HTR2A | P28223 | 2/20 | 0.43 |
| ▸ | SCN1A | P35498 | 2/20 | 0.43 |
| ▸ | SCN5A | Q14524 | 2/20 | 0.43 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL13692287 | 0.86 | SLC6A2 (0.54) | TAAR1MAOASLC6A2SLC6A4SLC6A3 | |
| SCHEMBL16273856 | 0.84 | GABRA1 (0.44) | GABRA1GABRG2GABRB3TAAR1MAOA | |
| Hydrochloric Acid SCHEMBL29444026 | 0.84 | TAAR1 (0.52) | TAAR1MAOASLC6A2SLC6A4SLC6A3 | |
| Hydrochloric Acid SCHEMBL28478337 | 0.84 | TAAR1 (0.52) | TAAR1MAOASLC6A2SLC6A4SLC6A3 | |
| SCHEMBL3865790 | 0.80 | GABRA1 (0.52) | GABRA1GABRG2GABRB3TAAR1MAOA | |
| SCHEMBL9734713 | 0.78 | GABRA1 (0.54) | GABRA1GABRG2GABRB3TAAR1MAOA | |
| SCHEMBL19289757 | 0.77 | GABRA1 (0.48) | GABRA1GABRG2GABRB3TAAR1MAOA | |
| SCHEMBL6215211 | 0.76 | GABRA1 (0.52) | GABRA1GABRG2GABRB3TAAR1MAOA | |
| SCHEMBL6213612 | 0.76 | GABRA1 (0.76) | GABRA1GABRG2GABRB3TAAR1SLC6A2 | |
| SCHEMBL5823486 | 0.76 | GABRA1 (0.52) | GABRA1GABRG2GABRB3TAAR1MAOA |
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-3004061-B1 | 3,4-DIHYDROISOQUINOLIN-2(1H)-YL COMPOUNDS | LILLY CO ELI (US) | 2017-08-30 | — | — | EP | disclosed |