Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRP | O00591 | 4/20 | 0.47 |
| ▸ | GABRD | O14764 | 4/20 | 0.47 |
| ▸ | GABRA1 | P14867 | 4/20 | 0.47 |
| ▸ | GABRB1 | P18505 | 4/20 | 0.47 |
| ▸ | GABRG2 | P18507 | 4/20 | 0.47 |
| ▸ | GABRB3 | P28472 | 4/20 | 0.47 |
| ▸ | GABRA5 | P31644 | 4/20 | 0.47 |
| ▸ | GABRA3 | P34903 | 4/20 | 0.47 |
| ▸ | GABRA2 | P47869 | 4/20 | 0.47 |
| ▸ | GABRB2 | P47870 | 4/20 | 0.47 |
| ▸ | GABRA4 | P48169 | 4/20 | 0.47 |
| ▸ | GABRE | P78334 | 4/20 | 0.47 |
| ▸ | GABRA6 | Q16445 | 4/20 | 0.47 |
| ▸ | GABRG1 | Q8N1C3 | 4/20 | 0.47 |
| ▸ | GABRG3 | Q99928 | 4/20 | 0.47 |
| ▸ | GABRQ | Q9UN88 | 4/20 | 0.47 |
| ▸ | ABCB1 | P08183 | 7/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.46 |
| ▸ | MAPT | P10636 | 6/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 6/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL12835534 | 0.87 | ABCB1 (0.55) | GABRPGABRDGABRA1GABRB1GABRG2 | |
| Mitoflaxone SCHEMBL106705 | 0.81 | CYP1A2 (0.62) | GABRPGABRDGABRA1GABRB1GABRG2 | |
| SCHEMBL12835503 | 0.79 | CYP1A2 (0.60) | GABRPGABRDGABRA1GABRB1GABRG2 | |
| SCHEMBL12835502 | 0.77 | CYP19A1 (0.47) | GABRPGABRDGABRA1GABRB1GABRG2 | |
| SCHEMBL28044360 | 0.76 | CYP3A4 (0.66) | GABRPGABRDGABRA1GABRB1GABRG2 | |
| SCHEMBL28334577 | 0.76 | ACHE (0.69) | GABRPGABRDGABRA1GABRB1GABRG2 | |
| SCHEMBL12835629 | 0.74 | CYP2D6 (0.53) | ABCB1ALDH1A1MAPTCYP1A2CYP3A4 | |
| SCHEMBL12835299 | 0.74 | CYP19A1 (0.55) | GABRPGABRDGABRA1GABRB1GABRG2 | |
| SCHEMBL9550475 | 0.73 | MAOA (0.54) | ABCB1ALDH1A1MAPTCYP1A2CYP3A4 | |
| SCHEMBL12835506 | 0.73 | CYP3A4 (0.52) | GABRPGABRDGABRA1GABRB1GABRG2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011023287-A1 | USE OF FAA AND ITS DERIVATIVES IN COSMETICS AND DERMATOLOGY | MERCK PATENT GMBH (DE) | 2011-03-03 | — | — | WO | disclosed |