Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA1 | P30542 | 2/20 | 0.58 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.58 |
| ▸ | CYP1A1 | P04798 | 5/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.49 |
| ▸ | CYP1B1 | Q16678 | 5/20 | 0.49 |
| ▸ | DCPS | Q96C86 | 1/20 | 0.45 |
| ▸ | HTR3A | P46098 | 2/20 | 0.44 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.44 |
| ▸ | MAOA | P21397 | 1/20 | 0.44 |
| ▸ | ACHE | P22303 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | GLA | P06280 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.40 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.40 |
| ▸ | NCF1 | P14598 | 2/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| SCHEMBL2190316 | 0.83 | ADORA1 (0.53) | ADORA1ADORA2AACHEADORA3 | |
| SCHEMBL2185605 | 0.82 | ADORA2A (0.46) | ADORA1ADORA2A | |
| SCHEMBL2642270 | 0.76 | CYP1A1 (0.51) | ADORA1CYP1A1CYP1A2CYP1B1DCPS | |
| SCHEMBL2184224 | 0.74 | ADORA2A (0.47) | ADORA1ADORA2AHRH4 | |
| SCHEMBL2187983 | 0.74 | ADORA2A (0.56) | ADORA1ADORA2ACYP1A2 | |
| SCHEMBL3301792 | 0.74 | ADORA2A (1.00) | ADORA1ADORA2A | |
| SCHEMBL31169377 | 0.73 | METAP1 (0.66) | ADORA1ADORA2ACYP1A1CYP1A2CYP1B1 | |
| SCHEMBL30394017 | 0.73 | METAP1 (0.66) | ADORA1ADORA2ACYP1A1CYP1A2CYP1B1 | |
| SCHEMBL10705638 | 0.73 | METAP1 (0.66) | ADORA1ADORA2ACYP1A1CYP1A2CYP1B1 | |
| SCHEMBL11357725 | 0.71 | CYP1A1 (0.56) | CYP1A1CYP1A2CYP1B1DCPS |
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-2346859-A1 | HETEROCYCLIC JAK KINASE INHIBITORS | AstraZeneca AB (SE) | 2011-07-27 | — | — | EP | disclosed |