Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 2/20 | 0.43 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.43 |
| ▸ | SLC22A12 | Q96S37 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | IDO1 | P14902 | 2/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | CNR1 | P21554 | 1/20 | 0.35 |
| ▸ | CNR2 | P34972 | 1/20 | 0.35 |
| ▸ | ATR | Q13535 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL27848361 | 0.79 | CNR1 (0.38) | SLC22A12ALDH1A1CYP3A4TDP1CNR1 | |
| SCHEMBL10460219 | 0.77 | SLC22A12 (0.45) | ADORA2AADORA1SLC22A12ALDH1A1CYP1A2 | |
| SCHEMBL25417900 | 0.76 | ADORA2A (0.56) | ADORA2AADORA1SLC22A12ALDH1A1TDP1 | |
| SCHEMBL29974619 | 0.72 | EPHB3 (0.41) | SLC22A12GABRA1GABRG2GABRB3GABRA3 | |
| SCHEMBL30219258 | 0.70 | IMPDH2 (0.54) | ALDH1A1CYP1A2CYP3A4MEN1HPGD | |
| SCHEMBL12006859 | 0.69 | ALDH1A1 (0.59) | ALDH1A1CYP1A2CYP3A4MEN1HPGD | |
| SCHEMBL166305 | 0.69 | — | — | |
| SCHEMBL30747854 | 0.69 | MAPK9 (0.57) | ADORA2AADORA1ALDH1A1THRBPDK1 | |
| SCHEMBL17144583 | 0.67 | LRRK2 (0.58) | — | |
| SCHEMBL2652308 | 0.67 | GABRG2 (0.47) | SLC22A12PDK1GABRA1GABRG2GABRB3 |
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-106170290-A | Substituted di-amino-pyrimidine based compound, combinations thereof and treatment method thereof | 西格诺药品有限公司 | 2016-11-30 | — | — | CN | disclosed |