Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERAP1 | Q9NZ08 | 2/20 | 0.51 |
| ▸ | ECE1 | P42892 | 2/20 | 0.51 |
| ▸ | ITGB1 | P05556 | 5/20 | 0.50 |
| ▸ | ITGA4 | P13612 | 5/20 | 0.50 |
| ▸ | ITGB7 | P26010 | 3/20 | 0.50 |
| ▸ | PYGL | P06737 | 1/20 | 0.49 |
| ▸ | MME | P08473 | 1/20 | 0.47 |
| ▸ | ACE | P12821 | 1/20 | 0.47 |
| ▸ | CPA1 | P15085 | 1/20 | 0.47 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.47 |
| ▸ | GPR34 | Q9UPC5 | 3/20 | 0.46 |
| ▸ | HPGDS | O60760 | 1/20 | 0.45 |
| ▸ | KIFC1 | Q9BW19 | 1/20 | 0.45 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.45 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.45 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.45 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL4829604 | 1.00 | ERAP1 (0.51) | ERAP1ECE1ITGB1ITGA4ITGB7 | |
| SCHEMBL4827784 | 0.91 | ECE1 (0.53) | ERAP1ECE1ITGB1ITGA4ITGB7 | |
| SCHEMBL4827782 | 0.91 | ECE1 (0.53) | ERAP1ECE1ITGB1ITGA4ITGB7 | |
| SCHEMBL4824673 | 0.89 | KDR (0.51) | ECE1PYGL | |
| SCHEMBL4824679 | 0.89 | KDR (0.51) | ECE1PYGL | |
| SCHEMBL27611059 | 0.88 | MME (0.57) | ITGB1ITGA4ITGB7MMEACE | |
| SCHEMBL5926558 | 0.88 | MME (0.57) | ITGB1ITGA4ITGB7MMEACE | |
| SCHEMBL4827714 | 0.87 | MME (0.47) | ERAP1ITGB1ITGA4ITGB7MME | |
| SCHEMBL5927314 | 0.86 | PYGL (0.53) | ERAP1ECE1ITGB1ITGA4PYGL | |
| SCHEMBL6497428 | 0.85 | ECE1 (0.52) | ERAP1ECE1ITGB1ITGA4ITGB7 |
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-7459472-B2 | Aryl and heteroaryl compounds, compositions, and methods of use | TRANSTECH PHARMA, INC. (US) | 2008-12-02 | — | — | US | disclosed |