Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 2/20 | 0.44 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.44 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.44 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.44 |
| ▸ | AR | P10275 | 2/20 | 0.43 |
| ▸ | LRRK2 | Q5S007 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | ABL1 | P00519 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL16429408 | 0.86 | EGLN2 (0.46) | ADORA2AADORA1CYP11B1CYP11B2AR | |
| SCHEMBL18406712 | 0.85 | AR (0.51) | ADORA2AADORA1CYP11B1CYP11B2AR | |
| SCHEMBL15856481 | 0.84 | PTGDR2 (0.49) | CYP11B1CYP11B2ARKDM4ECYP1A2 | |
| SCHEMBL29788076 | 0.84 | PTGDR2 (0.49) | CYP11B1CYP11B2ARKDM4ECYP1A2 | |
| SCHEMBL18406706 | 0.81 | AR (0.48) | ADORA2AADORA1CYP11B1CYP11B2AR | |
| SCHEMBL5099548 | 0.81 | PLAU (0.46) | ADORA2AADORA1ARLRRK2KDM4E | |
| SCHEMBL7386770 | 0.80 | CLK4 (0.53) | ARKDM4ECYP1A2CYP3A4CYP2D6 | |
| SCHEMBL18934331 | 0.80 | ALDH1A1 (0.54) | CYP11B1CYP11B2ARALDH1A1CYP2A6 | |
| SCHEMBL278217 | 0.79 | S1PR4 (0.53) | ADORA1LRRK2MAPTHPGDTSHR | |
| SCHEMBL6110387 | 0.78 | AR (0.54) | CYP11B1CYP11B2ARMAPK14ALDH1A1 |
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-2012022045-A1 | PYRROLOPYRIMIDINE COMPOUNDS AND USES THEREOF | HUTCHISON MEDIPHARMA LIMITED (CN) | 2012-02-23 | — | — | WO | disclosed |