Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TMEM97 | Q5BJF2 | 16/20 | 0.56 |
| ▸ | SIGMAR1 | Q99720 | 16/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | TMPRSS2 | O15393 | 1/20 | 0.45 |
| ▸ | HTR1A | P08908 | 1/20 | 0.44 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.44 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.44 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.44 |
| ▸ | DRD1 | P21728 | 1/20 | 0.44 |
| ▸ | HRH2 | P25021 | 1/20 | 0.44 |
| ▸ | HTR1B | P28222 | 1/20 | 0.44 |
| ▸ | HTR2A | P28223 | 1/20 | 0.44 |
| ▸ | HTR2C | P28335 | 1/20 | 0.44 |
| ▸ | HTR1E | P28566 | 1/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.44 |
| ▸ | HRH1 | P35367 | 1/20 | 0.44 |
| ▸ | HTR2B | P41595 | 1/20 | 0.44 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL17797697 | 0.85 | TMEM97 (0.55) | TMEM97SIGMAR1ALDH1A1TMPRSS2NPC1 | |
| SCHEMBL6292442 | 0.84 | TMEM97 (0.62) | TMEM97SIGMAR1ALDH1A1TMPRSS2HTR1A | |
| SCHEMBL17797565 | 0.81 | TMEM97 (0.54) | TMEM97SIGMAR1ALDH1A1NPC1TP53 | |
| SCHEMBL17797552 | 0.81 | TMEM97 (0.55) | TMEM97SIGMAR1ALDH1A1NPC1TP53 | |
| SCHEMBL6296029 | 0.80 | TMEM97 (0.62) | TMEM97SIGMAR1ALDH1A1TMPRSS2HTR1A | |
| SCHEMBL2181843 | 0.79 | ESR2 (0.58) | TMEM97SIGMAR1ALDH1A1TMPRSS2NPC1 | |
| SCHEMBL6296040 | 0.79 | TMPRSS2 (0.56) | TMEM97SIGMAR1ALDH1A1TMPRSS2NPC1 | |
| SCHEMBL17797663 | 0.78 | TMEM97 (0.55) | TMEM97SIGMAR1ALDH1A1HTR1AADRA2A | |
| SCHEMBL9447608 | 0.78 | NPC1 (0.65) | ALDH1A1NPC1TP53MAPTNFKB1 | |
| SCHEMBL17813396 | 0.77 | PSEN1 (0.49) | TMEM97SIGMAR1ALDH1A1HTR1AADRA2A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2016090079-A1 | HETEROARYL COMPOUNDS AND USES THEREOF | CELGENE AVILOMICS RESEARCH, INC. (US) | 2016-06-09 | — | — | WO | disclosed |