Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR5A | P47898 | 4/20 | 0.38 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.35 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.32 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.32 |
| ▸ | ACHE | P22303 | 1/20 | 0.32 |
| ▸ | PARP1 | P09874 | 1/20 | 0.32 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.31 |
| ▸ | NOS3 | P29474 | 1/20 | 0.31 |
| ▸ | KDM1A | O60341 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | HTR2A | P28223 | 1/20 | 0.30 |
| ▸ | HTR2C | P28335 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9572969 | 0.79 | ADRA2A (0.39) | HTR5AADRA2AADRA2BADRA2CSLC6A4 | |
| SCHEMBL29458622 | 0.79 | ADRA2A (0.39) | HTR5AADRA2AADRA2BADRA2CSLC6A4 | |
| Hydrochloric Acid SCHEMBL11658196 | 0.78 | ADRA2A (0.38) | HTR5AADRA2APARP1PARP10KDM1A | |
| SCHEMBL18023177 | 0.74 | MAPT (0.35) | ADRA2ASLC6A4ACHEKDM4EKMT2A | |
| SCHEMBL2965836 | 0.74 | TRPA1 (0.47) | ADRA2AADRA2BADRA2CPARP1PARP10 | |
| SCHEMBL7934799 | 0.74 | HTR5A (0.38) | HTR5AADRA2AACHEPARP1PARP10 | |
| SCHEMBL11795867 | 0.69 | HTR7 (0.35) | HTR2AHTR2C | |
| SCHEMBL15528512 | 0.69 | TRPA1 (0.51) | KDM1A | |
| SCHEMBL8824570 | 0.67 | HTR5A (0.33) | HTR5AADRA2AADRA2BADRA2CACHE | |
| SCHEMBL29517242 | 0.67 | — | — |
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-103732596-B | Pyrrolopyrimidine derivatives | NOVARTIS AG (CH) | 2016-06-01 | — | — | CN | disclosed |