Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB1 | P05556 | 1/20 | 0.54 |
| ▸ | ITGAV | P06756 | 1/20 | 0.54 |
| ▸ | PIN1 | Q13526 | 2/20 | 0.50 |
| ▸ | MME | P08473 | 8/20 | 0.45 |
| ▸ | ACE | P12821 | 6/20 | 0.45 |
| ▸ | CPA1 | P15085 | 3/20 | 0.45 |
| ▸ | ACE2 | Q9BYF1 | 3/20 | 0.45 |
| ▸ | PPARG | P37231 | 1/20 | 0.43 |
| ▸ | TACR3 | P29371 | 3/20 | 0.42 |
| ▸ | DHODH | Q02127 | 1/20 | 0.41 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | TACR2 | P21452 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL4626503 | 0.85 | ITGB1 (0.76) | ITGB1ITGAVPIN1MMEACE | |
| SCHEMBL3316499 | 0.84 | ITGB1 (0.62) | ITGB1ITGAVPIN1MMEACE | |
| SCHEMBL4627715 | 0.82 | PTPN1 (0.58) | ITGB1ITGAVPIN1ACEPPARG | |
| SCHEMBL10071066 | 0.81 | MME (0.61) | PIN1MMEACECPA1ACE2 | |
| SCHEMBL29981964 | 0.81 | MME (0.61) | PIN1MMEACECPA1ACE2 | |
| SCHEMBL805215 | 0.81 | MME (0.61) | PIN1MMEACECPA1ACE2 | |
| SCHEMBL8895051 | 0.81 | MME (0.61) | PIN1MMEACECPA1ACE2 | |
| SCHEMBL30498632 | 0.81 | MME (0.61) | PIN1MMEACECPA1ACE2 | |
| SCHEMBL4409576 | 0.80 | ITGB1 (0.85) | ITGB1ITGAVPIN1 | |
| SCHEMBL20809122 | 0.80 | DHODH (0.50) | ITGB1ITGAVDHODH |
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 |
|---|---|---|---|---|---|---|---|
| EP-1501801-B1 | 2,6-QUINOLINYL AND 2,6-NAPHTHYL DERIVATIVES AND THEIR USE IN THE TREATMENT OF VLA-4 DEPENDENT DISEASES | UCB PHARMA SA (BE) | 2008-01-23 | — | — | EP | disclosed |