Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.48 |
| ▸ | MC4R | P32245 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.43 |
| ▸ | OGA | O60502 | 1/20 | 0.42 |
| ▸ | CHRM2 | P08172 | 3/20 | 0.42 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.42 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.40 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.40 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.40 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.40 |
| ▸ | DRD3 | P35462 | 1/20 | 0.40 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | RORC | P51449 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 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 | |
|---|---|---|---|---|
| SCHEMBL14924035 | 0.86 | CYP2D6 (0.52) | CYP2D6MC4RALDH1A1HDAC4HDAC1 | |
| SCHEMBL14924473 | 0.84 | ALDH1A1 (0.53) | CYP2D6MC4RALDH1A1CHRM2CHRM1 | |
| SCHEMBL18403967 | 0.84 | ALDH1A1 (0.53) | CYP2D6MC4RALDH1A1CHRM2CHRM1 | |
| SCHEMBL12845564 | 0.84 | CYP2D6 (0.48) | CYP2D6MC4ROGACHRM2CHRM1 | |
| SCHEMBL10112423 | 0.83 | CYP2D6 (0.50) | CYP2D6MC4RHDAC4HDAC1CHRM2 | |
| SCHEMBL18403964 | 0.83 | GAA (0.54) | CYP2D6MC4RALDH1A1HDAC4HDAC1 | |
| SCHEMBL14600336 | 0.82 | CYP2D6 (0.74) | CYP2D6MC4RALDH1A1HDAC4HDAC1 | |
| SCHEMBL20012737 | 0.82 | CYP2D6 (0.74) | CYP2D6MC4RALDH1A1HDAC4HDAC1 | |
| SCHEMBL10259631 | 0.79 | LTA4H (0.47) | CYP2D6MC4RALDH1A1OGATSHR | |
| SCHEMBL24129459 | 0.79 | CYP2D6 (0.44) | CYP2D6MC4RALDH1A1CHRM2CHRM1 |
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 |
|---|---|---|---|---|---|---|---|
| US-RE46511-E1 | Fused pyrimidine derivatives for inhibition of tyrosine kinase activity | HANMI SCIENCE CO., LTD. (KR) | 2017-08-15 | — | — | US | disclosed |