Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 2/20 | 0.51 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | ACHE | P22303 | 1/20 | 0.44 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | FFAR2 | O15552 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | KEAP1 | Q14145 | 3/20 | 0.41 |
| ▸ | NFE2L2 | Q16236 | 3/20 | 0.41 |
| ▸ | CYP26A1 | O43174 | 1/20 | 0.41 |
| ▸ | STAT3 | P40763 | 1/20 | 0.41 |
| ▸ | MMP1 | P03956 | 1/20 | 0.40 |
| ▸ | MMP2 | P08253 | 1/20 | 0.40 |
| ▸ | MMP3 | P08254 | 1/20 | 0.40 |
| ▸ | MMP7 | P09237 | 1/20 | 0.40 |
| ▸ | MMP9 | P14780 | 1/20 | 0.40 |
| ▸ | MMP13 | P45452 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| SCHEMBL11315150 | 1.00 | AKR1C3 (0.51) | AKR1C3AKR1C2CYP2D6ACHEALOX5 | |
| Hydrochloric Acid SCHEMBL10918260 | 0.98 | AKR1C3 (0.50) | AKR1C3AKR1C2CYP2D6ACHEALOX5 | |
| SCHEMBL11210306 | 0.85 | CYP2D6 (0.46) | AKR1C3AKR1C2CYP2D6ACHEALOX5 | |
| Hydrochloric Acid SCHEMBL10916853 | 0.83 | AKR1C3 (0.51) | AKR1C3AKR1C2CYP2D6FFAR2SMN1; SMN2 | |
| SCHEMBL20223144 | 0.83 | STAT3 (0.44) | ACHEALOX5ALDH1A1FFAR2SMN1; SMN2 | |
| SCHEMBL10785204 | 0.83 | AKR1C3 (0.51) | AKR1C3AKR1C2CYP2D6FFAR2LMNA | |
| SCHEMBL11436603 | 0.83 | CYP2D6 (0.74) | CYP2D6SMN1; SMN2LMNAKEAP1NFE2L2 | |
| SCHEMBL5517061 | 0.83 | AKR1C3 (0.51) | AKR1C3AKR1C2CYP2D6FFAR2LMNA | |
| SCHEMBL68895 | 0.83 | AKR1C3 (0.51) | AKR1C3AKR1C2CYP2D6FFAR2LMNA | |
| SCHEMBL5158960 | 0.82 | CYP2D6 (0.73) | AKR1C3AKR1C2CYP2D6LMNAPTGS2 |
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-2011109464-A1 | DEUTERATED TETRAHYDRONAPHTHALENE DERIVATIVES | CONCERT PHARMACEUTICALS INC. (US) | 2011-09-09 | — | — | WO | disclosed |