Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 3/20 | 0.47 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.47 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.47 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.38 |
| ▸ | FAAH | O00519 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.38 |
| ▸ | HTR2C | P28335 | 1/20 | 0.38 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.38 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.38 |
| ▸ | HTR2B | P41595 | 1/20 | 0.38 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL16273856 | 0.81 | GABRA1 (0.44) | GABRA1GABRG2GABRB3SLC6A2TSHR | |
| SCHEMBL19289925 | 0.80 | GABRA1 (0.40) | GABRA1GABRG2GABRB3SLC6A2TSHR | |
| SCHEMBL16273857 | 0.78 | GABRA1 (0.42) | GABRA1GABRG2GABRB3SLC6A2TSHR | |
| SCHEMBL19290003 | 0.78 | GABRA1 (0.41) | GABRA1GABRG2GABRB3SLC6A2TSHR | |
| SCHEMBL16273863 | 0.78 | GABRA1 (0.41) | GABRA1GABRG2GABRB3SLC6A2TSHR | |
| SCHEMBL16273885 | 0.77 | GABRA1 (0.41) | GABRA1GABRG2GABRB3SLC6A2TSHR | |
| SCHEMBL28000795 | 0.77 | GABRA1 (0.50) | GABRA1GABRG2GABRB3SLC6A2TSHR | |
| SCHEMBL19290095 | 0.75 | GABRA1 (0.39) | GABRA1GABRG2GABRB3SLC6A2TSHR | |
| SCHEMBL28000769 | 0.74 | GABRA1 (0.47) | GABRA1GABRG2GABRB3SLC6A2TSHR | |
| SCHEMBL16273875 | 0.73 | GABRA1 (0.37) | GABRA1GABRG2GABRB3HTR2A |
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 |