Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR84 | Q9NQS5 | 3/20 | 0.34 |
| ▸ | NUDT1 | P36639 | 3/20 | 0.34 |
| ▸ | P2RX7 | Q99572 | 6/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.33 |
| ▸ | IDO1 | P14902 | 1/20 | 0.33 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.32 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 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 | |
|---|---|---|---|---|
| SCHEMBL9716208 | 0.80 | GPR84 (0.32) | GPR84 | |
| SCHEMBL8819360 | 0.74 | P2RX7 (0.46) | NUDT1P2RX7NOTUMIDO1LMNA | |
| SCHEMBL600108 | 0.72 | — | — | |
| SCHEMBL440943 | 0.71 | TSHR (0.52) | NUDT1P2RX7NOTUMIDO1LMNA | |
| SCHEMBL27997326 | 0.68 | — | — | |
| Ether SCHEMBL11700406 | 0.65 | KDM4E (0.43) | NUDT1P2RX7NOTUMIDO1L3MBTL1 | |
| SCHEMBL3639631 | 0.65 | — | — | |
| SCHEMBL381601 | 0.65 | CYP2A6 (0.52) | NUDT1P2RX7ALDH1A1NOTUMIDO1 | |
| SCHEMBL29385608 | 0.65 | CYP2A6 (0.52) | NUDT1P2RX7ALDH1A1NOTUMIDO1 | |
| SCHEMBL5545731 | 0.65 | NOTUM (0.40) | NUDT1P2RX7NOTUMIDO1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2005019200-A2 | ARYL PIPERIDINE DERIVATIVES AS VLA-1 INTEGRIN ANTAGONISTS AND USES THEREOF | ICOS CORPORATION (US) | 2005-03-03 | — | — | WO | disclosed |