Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.43 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.43 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | IDO1 | P14902 | 3/20 | 0.42 |
| ▸ | EP300 | Q09472 | 1/20 | 0.41 |
| ▸ | KAT8 | Q9H7Z6 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 3/20 | 0.38 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.37 |
| ▸ | CETP | P11597 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 4/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | FGB | P02675 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6069500 | 0.84 | ALDH1A1 (0.46) | ALDH1A1ADRA2BPTGS1TDP1IDO1 | |
| SCHEMBL23139997 | 0.75 | IDO1 (0.40) | ALDH1A1ADRA2BPTGS1TDP1IDO1 | |
| SCHEMBL19668227 | 0.75 | IDO1 (0.40) | ALDH1A1ADRA2BPTGS1TDP1IDO1 | |
| SCHEMBL29407325 | 0.75 | IDO1 (0.40) | ALDH1A1ADRA2BPTGS1TDP1IDO1 | |
| SCHEMBL10388544 | 0.74 | ALDH1A1 (0.59) | ALDH1A1ADRA2BPTGS1TDP1IDO1 | |
| SCHEMBL5515728 | 0.74 | ALDH1A1 (0.46) | ALDH1A1ADRA2BPTGS1TDP1IDO1 | |
| Hydrochloric Acid SCHEMBL23013024 | 0.73 | EP300 (0.42) | ALDH1A1ADRA2BPTGS1TDP1IDO1 | |
| SCHEMBL6069097 | 0.72 | CYP1A2 (0.37) | ALDH1A1ADRA2BPTGS1TDP1IDO1 | |
| SCHEMBL6069173 | 0.71 | TAAR1 (0.35) | ALDH1A1IDO1TAAR1MAPTMEN1 | |
| SCHEMBL6141591 | 0.71 | IDO1 (0.47) | ALDH1A1ADRA2BPTGS1TDP1IDO1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-101437820-A | Heterobicyclic pyrazole compounds and methods of use | ARRAY BIOPHARMA INC (US) | 2009-05-20 | — | — | CN | disclosed |