Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 3/20 | 0.37 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.33 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.33 |
| ▸ | FAAH | O00519 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.33 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | HTR2C | P28335 | 1/20 | 0.33 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.33 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.33 |
| ▸ | HTR2B | P41595 | 1/20 | 0.33 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9737175 | 0.83 | GABRA1 (0.43) | GABRA1GABRB2TSHRGABRG2GABRB3 | |
| SCHEMBL191352 | 0.78 | GABRA1 (0.52) | GABRA1GABRB2TSHRGABRG2GABRB3 | |
| SCHEMBL29986709 | 0.78 | GABRA1 (0.52) | GABRA1GABRB2TSHRGABRG2GABRB3 | |
| SCHEMBL7741493 | 0.76 | GABRA1 (0.50) | GABRA1GABRB2TSHRGABRG2GABRB3 | |
| SCHEMBL13242010 | 0.76 | GABRA1 (0.39) | GABRA1GABRB2TSHRGABRG2GABRB3 | |
| SCHEMBL24044259 | 0.74 | GABRA1 (0.37) | GABRA1GABRB2TSHRGABRG2GABRB3 | |
| SCHEMBL3680994 | 0.74 | CYP2D6 (0.46) | GABRA1GABRB2TSHRGABRG2GABRB3 | |
| SCHEMBL20583953 | 0.74 | TSHR (0.43) | GABRA1GABRB2TSHRGABRG2GABRB3 | |
| SCHEMBL5220290 | 0.74 | GABRA1 (0.37) | GABRA1GABRB2TSHRGABRG2GABRB3 | |
| SCHEMBL15859871 | 0.74 | GABRA1 (0.42) | GABRA1GABRB2TSHRGABRG2GABRB3 |
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-3321246-A2 | DOUBLE SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME | LG Chem, Ltd. (KR) | 2018-05-16 | — | — | EP | disclosed |