Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A1 | P04798 | 3/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.53 |
| ▸ | CYP1B1 | Q16678 | 3/20 | 0.53 |
| ▸ | DPP4 | P27487 | 2/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | GLA | P06280 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | IKBKB | O14920 | 1/20 | 0.38 |
| ▸ | CHUK | O15111 | 1/20 | 0.38 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.38 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL14274543 | 0.83 | ADORA1 (0.51) | CYP1A1CYP1A2CYP1B1DPP4ADORA1 | |
| SCHEMBL7661563 | 0.81 | ADORA1 (0.39) | CYP1A1CYP1A2CYP1B1NPSR1ADORA1 | |
| SCHEMBL30165634 | 0.77 | ADORA2A (0.47) | ADORA1NPC1ADORA2A | |
| SCHEMBL29981526 | 0.75 | DYRK1A (0.46) | ADORA1DYRK1AIKBKBCHUKHRH4 | |
| SCHEMBL18055932 | 0.75 | DYRK1A (0.46) | ADORA1DYRK1AIKBKBCHUKHRH4 | |
| SCHEMBL16826600 | 0.75 | AURKA (0.52) | ADORA1HRH4ADORA3 | |
| Hydrochloric Acid SCHEMBL29616498 | 0.74 | DYRK1A (0.44) | ADORA1DYRK1AIKBKBCHUKHRH4 | |
| Hydrochloric Acid SCHEMBL29616579 | 0.74 | DYRK1A (0.44) | ADORA1DYRK1AIKBKBCHUKHRH4 | |
| SCHEMBL16497095 | 0.73 | NUDT1 (0.43) | ADORA1DYRK1AIKBKBCHUKHRH4 | |
| SCHEMBL30110740 | 0.73 | EGFR (0.53) | CYP1A1CYP1A2CYP1B1RAB9ASMN1; SMN2 |
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-2011060440-A2 | KINASE INHIBITORS | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2011-05-19 | — | — | WO | disclosed |