Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.44 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.44 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.44 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.44 |
| ▸ | GABRA2 | P47869 | 2/20 | 0.44 |
| ▸ | GABRA6 | Q16445 | 2/20 | 0.44 |
| ▸ | GABRP | O00591 | 1/20 | 0.44 |
| ▸ | GABRD | O14764 | 1/20 | 0.44 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.44 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.44 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.44 |
| ▸ | GABRE | P78334 | 1/20 | 0.44 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.44 |
| ▸ | GABRG1 | Q8N1C3 | 1/20 | 0.44 |
| ▸ | GABRG3 | Q99928 | 1/20 | 0.44 |
| ▸ | GABRQ | Q9UN88 | 1/20 | 0.44 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.41 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Water SCHEMBL27921822 | 0.86 | GABRA5 (0.43) | GABRA1TSHRGABRG2GABRB3GABRA5 | |
| SCHEMBL18857699 | 0.84 | EPHX1 (0.46) | GABRA1TSHRGABRG2GABRB3GABRA5 | |
| SCHEMBL4621165 | 0.83 | ALDH1A1 (0.38) | GABRA1TSHRGABRG2GABRB3GABRA5 | |
| SCHEMBL28135044 | 0.83 | GABRA1 (0.35) | GABRA1TSHRGABRG2GABRB3GABRA5 | |
| SCHEMBL21235850 | 0.83 | GABRA1 (0.35) | GABRA1TSHRGABRG2GABRB3GABRA5 | |
| SCHEMBL1643324 | 0.82 | GABRA5 (0.48) | GABRA1TSHRGABRG2GABRB3GABRA5 | |
| SCHEMBL10811171 | 0.82 | GABRA1 (0.42) | GABRA1TSHRGABRG2GABRB3GABRA5 | |
| SCHEMBL1490076 | 0.80 | GABRA1 (0.41) | GABRA1TSHRGABRG2GABRB3GABRA5 | |
| SCHEMBL19457006 | 0.80 | GABRA1 (0.41) | GABRA1TSHRGABRG2GABRB3GABRA5 | |
| SCHEMBL2326618 | 0.80 | GABRA1 (0.41) | GABRA1TSHRGABRG2GABRB3GABRA5 |
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 |
|---|---|---|---|---|---|---|---|
| US-5280031-A | Cyclic azaaliphatic compounds with a nitroxy function, processes for the preparation thereof and pharmaceutical compositions containing them | BOEHRINGER MANNHEIM GMBH (DE) | 1994-01-18 | — | — | US | disclosed |
| US-5030641-A | Treatment of angina pectoris, hypotensive agents | BOEHRINGER MANNHEIM GMBH (DE) | 1991-07-09 | — | — | US | disclosed |