Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 2/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | RECQL | P46063 | 1/20 | 0.38 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.37 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.36 |
| ▸ | AKR1C1 | Q04828 | 2/20 | 0.36 |
| ▸ | FBP1 | P09467 | 1/20 | 0.36 |
| ▸ | MYC | P01106 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7668166 | 0.72 | AKR1C3 (0.40) | AKR1C3PTGS2ALDH1A1TSHRRECQL | |
| SCHEMBL7566922 | 0.67 | POLB (0.39) | AKR1C3ALDH1A1KEAP1MYC | |
| SCHEMBL7668168 | 0.67 | HDAC2 (0.61) | ALDH1A1RECQL | |
| Boric Acid SCHEMBL6312485 | 0.66 | KEAP1 (0.83) | PTGS2ALDH1A1KEAP1 | |
| SCHEMBL18304581 | 0.65 | ALDH1A1 (0.50) | AKR1C3ALDH1A1TSHRRECQLAKR1C1 | |
| SCHEMBL18304582 | 0.65 | ALDH1A1 (0.50) | AKR1C3ALDH1A1TSHRRECQLAKR1C1 | |
| Benzaldehyde SCHEMBL18529880 | 0.65 | ALDH1A1 (0.67) | AKR1C3PTGS2ALDH1A1TSHRKEAP1 | |
| SCHEMBL9755450 | 0.64 | AKR1C3 (0.45) | AKR1C3PTGS2ALDH1A1TSHRRECQL | |
| SCHEMBL9755447 | 0.64 | AKR1C3 (0.45) | AKR1C3PTGS2ALDH1A1TSHRRECQL | |
| SCHEMBL155213 | 0.64 | ALDH1A1 (0.60) | AKR1C3ALDH1A1TSHRAKR1C1FBP1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2411352-A2 | ANTIVIRAL COMPOUNDS AND USES THEREOF | Abbott Laboratories (US) | 2012-02-01 | — | — | EP | disclosed |
| WO-2010111436-A2 | ANTIVIRAL COMPOUNDS AND USES THEREOF | ABBOTT LABORATORIES (US) | 2010-09-30 | — | — | WO | disclosed |