Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 2/20 | 0.50 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.46 |
| ▸ | FFAR2 | O15552 | 1/20 | 0.42 |
| ▸ | MMP1 | P03956 | 1/20 | 0.41 |
| ▸ | MMP2 | P08253 | 1/20 | 0.41 |
| ▸ | MMP3 | P08254 | 1/20 | 0.41 |
| ▸ | MMP7 | P09237 | 1/20 | 0.41 |
| ▸ | MMP9 | P14780 | 1/20 | 0.41 |
| ▸ | MMP13 | P45452 | 1/20 | 0.41 |
| ▸ | BACE1 | P56817 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.38 |
| ▸ | GRM8 | O00222 | 1/20 | 0.38 |
| ▸ | GRM7 | Q14831 | 1/20 | 0.38 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.38 |
| ▸ | CNR2 | P34972 | 1/20 | 0.38 |
| ▸ | CYP26A1 | O43174 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL10916853 | 0.85 | AKR1C3 (0.51) | AKR1C3AKR1C2CYP2D6FFAR2POLB | |
| SCHEMBL28006502 | 0.82 | CYP2D6 (0.47) | AKR1C3AKR1C2CYP2D6MMP1MMP2 | |
| SCHEMBL6884698 | 0.81 | AKR1C3 (0.51) | AKR1C3AKR1C2CYP2D6FFAR2MMP1 | |
| SCHEMBL10785204 | 0.81 | AKR1C3 (0.51) | AKR1C3AKR1C2CYP2D6FFAR2TDP1 | |
| SCHEMBL5517061 | 0.81 | AKR1C3 (0.51) | AKR1C3AKR1C2CYP2D6FFAR2TDP1 | |
| SCHEMBL11315150 | 0.81 | AKR1C3 (0.51) | AKR1C3AKR1C2CYP2D6FFAR2MMP1 | |
| SCHEMBL68895 | 0.81 | AKR1C3 (0.51) | AKR1C3AKR1C2CYP2D6FFAR2TDP1 | |
| SCHEMBL5158960 | 0.80 | CYP2D6 (0.73) | AKR1C3AKR1C2CYP2D6PTGS2LMNA | |
| SCHEMBL66944 | 0.80 | CYP2D6 (0.73) | AKR1C3AKR1C2CYP2D6PTGS2LMNA | |
| SCHEMBL193565 | 0.80 | CYP2D6 (0.73) | AKR1C3AKR1C2CYP2D6PTGS2LMNA |
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-4311696-A | INSECTICIDES | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1982-01-19 | — | — | US | disclosed |