Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA1 | P30542 | 1/20 | 0.44 |
| ▸ | AAK1 | Q2M2I8 | 2/20 | 0.43 |
| ▸ | REN | P00797 | 1/20 | 0.41 |
| ▸ | MMP13 | P45452 | 1/20 | 0.38 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.37 |
| ▸ | ITGB7 | P26010 | 1/20 | 0.37 |
| ▸ | KLK5 | Q9Y337 | 2/20 | 0.37 |
| ▸ | ESR1 | P03372 | 1/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.36 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.36 |
| ▸ | PPIB | P23284 | 2/20 | 0.35 |
| ▸ | PPIA | P62937 | 1/20 | 0.35 |
| ▸ | PPID | Q08752 | 1/20 | 0.35 |
| ▸ | PPIG | Q13427 | 1/20 | 0.35 |
| ▸ | PRKCZ | Q05513 | 1/20 | 0.34 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.34 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.34 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.34 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL30912497 | 0.92 | ADORA1 (0.44) | ADORA1AAK1RENMMP13ITGA4 | |
| SCHEMBL30912596 | 0.92 | ADORA1 (0.44) | ADORA1AAK1RENMMP13ITGA4 | |
| SCHEMBL20422634 | 0.88 | ESR1 (0.49) | ADORA1AAK1RENMMP13ITGA4 | |
| SCHEMBL20422635 | 0.88 | ESR1 (0.49) | ADORA1AAK1RENMMP13ITGA4 | |
| SCHEMBL23279486 | 0.87 | MEN1 (0.41) | ADORA1AAK1RENMMP13ITGA4 | |
| SCHEMBL6992860 | 0.87 | ADORA1 (0.41) | ADORA1AAK1RENMMP13ITGA4 | |
| SCHEMBL8362444 | 0.87 | ADORA1 (0.51) | ADORA1AAK1RENMMP13ITGA4 | |
| SCHEMBL3638571 | 0.87 | LDHA (0.46) | ADORA1RENMMP13ITGA4ITGB7 | |
| SCHEMBL8362441 | 0.87 | ADORA1 (0.51) | ADORA1AAK1RENMMP13ITGA4 | |
| SCHEMBL18256513 | 0.87 | MEN1 (0.41) | ADORA1AAK1RENMMP13ITGA4 |
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-6197794-B1 | ANTIINFLAMAMTORY AGENTS; IMMUNOLOGY DISEASES | CELLTECH THERAPEUTICS LIMITED (GB) | 2001-03-06 | — | — | US | disclosed |