Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | DRD2 | P14416 | 2/20 | 0.37 |
| ▸ | HTR2A | P28223 | 2/20 | 0.37 |
| ▸ | HTR7 | P34969 | 2/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.37 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.35 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.35 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.34 |
| ▸ | TDO2 | P48775 | 5/20 | 0.33 |
| ▸ | MLYCD | O95822 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL27532206 | 0.93 | ALDH1A1 (0.43) | ALDH1A1HPGDMLYCDLMNAKMT2A | |
| SCHEMBL27494109 | 0.91 | DRD2 (0.36) | ALDH1A1HPGDDRD2HRH3ADORA2A | |
| SCHEMBL27495701 | 0.86 | DRD2 (0.40) | ALDH1A1HPGDDRD2MLYCD | |
| SCHEMBL27492955 | 0.81 | HRH3 (0.37) | HPGDHRH3MLYCDKMT2A | |
| SCHEMBL27563844 | 0.79 | HSD11B1 (0.39) | ALDH1A1HPGDDRD2HTR2ALMNA | |
| SCHEMBL27493349 | 0.77 | F2 (0.38) | ALDH1A1HTR2AHTR7KCNH2HRH3 | |
| SCHEMBL27509546 | 0.72 | MLYCD (0.36) | DRD2MLYCDKMT2A | |
| SCHEMBL27524772 | 0.72 | GPR84 (0.42) | HTR2ATDO2KMT2ANR3C1 | |
| SCHEMBL27495704 | 0.71 | TDO2 (0.44) | ALDH1A1TDO2LMNAKMT2ANR3C1 | |
| SCHEMBL8304063 | 0.71 | ADRA1D (0.64) | DRD2HTR2AHTR7KCNH2ADRA1D |
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-1223650-A | Piperidines and pyrrolidines | MERCK PATENT GMBH (DE) | 1999-07-21 | — | — | CN | disclosed |