Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRP | O00591 | 2/20 | 0.56 |
| ▸ | GABRD | O14764 | 2/20 | 0.56 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.56 |
| ▸ | GABRB1 | P18505 | 2/20 | 0.56 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.56 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.56 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.56 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.56 |
| ▸ | GABRA2 | P47869 | 2/20 | 0.56 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.56 |
| ▸ | GABRA4 | P48169 | 2/20 | 0.56 |
| ▸ | GABRE | P78334 | 2/20 | 0.56 |
| ▸ | GABRA6 | Q16445 | 2/20 | 0.56 |
| ▸ | GABRG1 | Q8N1C3 | 2/20 | 0.56 |
| ▸ | GABRG3 | Q99928 | 2/20 | 0.56 |
| ▸ | GABRQ | Q9UN88 | 2/20 | 0.56 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.42 |
| ▸ | GABBR2 | O75899 | 1/20 | 0.38 |
| ▸ | GABBR1 | Q9UBS5 | 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 | |
|---|---|---|---|---|
| SCHEMBL28983976 | 0.81 | CES2 (0.38) | GABRPGABRDGABRA1GABRB1GABRG2 | |
| SCHEMBL109486 | 0.80 | CA1 (0.50) | CES2CES1FFAR3HDAC3HDAC1 | |
| Butyric Acid SCHEMBL7322909 | 0.79 | GABRP (0.82) | GABRPGABRDGABRA1GABRB1GABRG2 | |
| SCHEMBL2404264 | 0.78 | ALDH1A1 (0.46) | CES2CES1FFAR3HDAC3HDAC1 | |
| SCHEMBL17928588 | 0.78 | — | — | |
| SCHEMBL7769413 | 0.77 | — | — | |
| SCHEMBL10098537 | 0.77 | — | — | |
| SCHEMBL16103222 | 0.77 | — | — | |
| SCHEMBL22339977 | 0.76 | ALDH1A1 (0.45) | CES2CES1FFAR3HDAC3HDAC1 | |
| SCHEMBL11069921 | 0.76 | TSHR (0.40) | CES2CES1FFAR3HDAC3HDAC1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6730788-B1 | COUPLING WITH KETONE IN PRESENCE OF LANTHANIDE II METAL COMPOUND | UNIVERSITY OF NOTRE DAME | 2004-05-04 | — | — | US | disclosed |