Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRP | O00591 | 2/20 | 0.47 |
| ▸ | GABRD | O14764 | 2/20 | 0.47 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.47 |
| ▸ | GABRB1 | P18505 | 2/20 | 0.47 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.47 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.47 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.47 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.47 |
| ▸ | GABRA2 | P47869 | 2/20 | 0.47 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.47 |
| ▸ | GABRA4 | P48169 | 2/20 | 0.47 |
| ▸ | GABRE | P78334 | 2/20 | 0.47 |
| ▸ | GABRA6 | Q16445 | 2/20 | 0.47 |
| ▸ | GABRG1 | Q8N1C3 | 2/20 | 0.47 |
| ▸ | GABRG3 | Q99928 | 2/20 | 0.47 |
| ▸ | GABRQ | Q9UN88 | 2/20 | 0.47 |
| ▸ | AKR1C1 | Q04828 | 2/20 | 0.43 |
| ▸ | NNMT | P40261 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | MAP4K4 | O95819 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL349552 | 0.79 | NAPRT (0.47) | AKR1C1SMN1; SMN2MAP4K4AKR1C3AKR1C2 | |
| SCHEMBL31247665 | 0.79 | NAPRT (0.47) | AKR1C1SMN1; SMN2MAP4K4AKR1C3AKR1C2 | |
| SCHEMBL350673 | 0.75 | AKR1C1 (0.55) | AKR1C1MAP4K4ALDH1A1AKR1C3AKR1C2 | |
| SCHEMBL3258917 | 0.75 | NNMT (0.46) | AKR1C1NNMTKDM4EALDH1A1MEN1 | |
| SCHEMBL1951679 | 0.75 | MAP4K4 (0.54) | AKR1C1MAP4K4AKR1C3AKR1C2MEN1 | |
| SCHEMBL14872334 | 0.75 | KMT2A (0.46) | AKR1C1MAP4K4AKR1C3AKR1C2MEN1 | |
| SCHEMBL348598 | 0.75 | LDHA (0.51) | AKR1C1AKR1C3AKR1C2 | |
| SCHEMBL14868369 | 0.75 | AKR1C1 (0.40) | AKR1C1MAP4K4AKR1C3AKR1C2MEN1 | |
| SCHEMBL12138123 | 0.74 | MAP4K4 (0.40) | AKR1C1MAP4K4KDM4EALDH1A1GAA | |
| SCHEMBL17298724 | 0.73 | NOS3 (0.40) | 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-2012012410-A2 | KAPPA OPIOID RECEPTOR AGONISTS | DR. REDDY'S LABORATORIES LTD. (IN) | 2012-01-26 | — | — | WO | disclosed |