Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RORC | P51449 | 1/20 | 0.46 |
| ▸ | RORB | Q92753 | 1/20 | 0.46 |
| ▸ | IDO1 | P14902 | 3/20 | 0.41 |
| ▸ | CNR2 | P34972 | 9/20 | 0.41 |
| ▸ | CNR1 | P21554 | 1/20 | 0.41 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.41 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.40 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.39 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.39 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.39 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.38 |
| ▸ | PARP11 | Q9NR21 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL6507917 | 0.82 | SCN9A (0.39) | IDO1CNR2CNR1SCN9ADYRK1A | |
| SCHEMBL29564467 | 0.78 | GRM5 (0.47) | IDO1CNR2CNR1DYRK1A | |
| SCHEMBL21380856 | 0.78 | GRM5 (0.47) | IDO1CNR2CNR1DYRK1A | |
| SCHEMBL3772831 | 0.76 | P2RX7 (0.47) | IDO1CNR2CNR1NOTUM | |
| SCHEMBL3272924 | 0.75 | IDO1 (0.40) | RORCRORBIDO1CNR2ADORA2A | |
| SCHEMBL4027001 | 0.75 | IDO1 (0.55) | IDO1ADORA2AADORA1PARP10PARP11 | |
| SCHEMBL15673169 | 0.74 | IDO1 (0.44) | RORCRORBIDO1ADORA2AADORA1 | |
| SCHEMBL3626709 | 0.74 | RORB (0.49) | RORCRORBIDO1ADORA2AADORA1 | |
| SCHEMBL4928287 | 0.74 | IDO1 (0.44) | RORCRORBIDO1ADORA2AADORA1 | |
| SCHEMBL1415495 | 0.74 | ADORA2A (0.49) | RORCRORBIDO1ADORA2AADORA1 |
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 2 patents. 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 |
| WO-2005019200-A2 | ARYL PIPERIDINE DERIVATIVES AS VLA-1 INTEGRIN ANTAGONISTS AND USES THEREOF | ICOS CORPORATION (US) | 2005-03-03 | — | — | WO | disclosed |