Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 1/20 | 0.37 |
| ▸ | PTPRB | P23467 | 2/20 | 0.35 |
| ▸ | IDH2 | P48735 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.33 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.33 |
| ▸ | EEF2K | O00418 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 2/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | GABBR2 | O75899 | 1/20 | 0.31 |
| ▸ | GABBR1 | Q9UBS5 | 1/20 | 0.31 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL6499280 | 0.81 | PKM (0.39) | PTPRBPKMPTGER1 | |
| SCHEMBL6501114 | 0.76 | FFAR1 (0.49) | PKM | |
| SCHEMBL6179146 | 0.71 | GABBR2 (0.56) | AKR1B1CYP3A4CYP2D6SLC6A2SLC6A4 | |
| SCHEMBL6179138 | 0.71 | GABBR2 (0.56) | AKR1B1CYP3A4CYP2D6SLC6A2SLC6A4 | |
| SCHEMBL7803616 | 0.68 | ESR1 (0.37) | PTPRBPKMMEN1KMT2A | |
| SCHEMBL6493607 | 0.65 | ITGB3 (0.47) | AKR1B1SLC6A2SLC6A4SLC6A3KCNH2 | |
| SCHEMBL6493595 | 0.65 | ITGB3 (0.47) | AKR1B1SLC6A2SLC6A4SLC6A3KCNH2 | |
| SCHEMBL8370944 | 0.64 | ESR1 (0.48) | PTPRBSLC6A2 | |
| SCHEMBL9863542 | 0.63 | AKR1B1 (0.55) | AKR1B1MAPK1POLBALDH1A1 | |
| SCHEMBL20876112 | 0.63 | CPA1 (0.62) | AKR1B1 |
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-6881736-B1 | Vitronectin receptor antagonists | SMITHKLINE BEECHAM CORPORATION (US) | 2005-04-19 | — | — | US | disclosed |