Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TMEM97 | Q5BJF2 | 11/20 | 0.63 |
| ▸ | SIGMAR1 | Q99720 | 11/20 | 0.63 |
| ▸ | HRH1 | P35367 | 3/20 | 0.63 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.63 |
| ▸ | HRH2 | P25021 | 2/20 | 0.63 |
| ▸ | HTR1A | P08908 | 1/20 | 0.63 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.63 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.63 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.63 |
| ▸ | DRD1 | P21728 | 1/20 | 0.63 |
| ▸ | HTR1B | P28222 | 1/20 | 0.63 |
| ▸ | HTR2A | P28223 | 1/20 | 0.63 |
| ▸ | HTR2C | P28335 | 1/20 | 0.63 |
| ▸ | HTR1E | P28566 | 1/20 | 0.63 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.63 |
| ▸ | HTR2B | P41595 | 1/20 | 0.63 |
| ▸ | RORC | P51449 | 1/20 | 0.48 |
| ▸ | ABHD6 | Q9BV23 | 4/20 | 0.48 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.47 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL8203214 | 0.87 | ABHD6 (0.60) | TMEM97SIGMAR1HRH1HRH3HRH2 | |
| SCHEMBL5198323 | 0.85 | ABHD6 (0.64) | TMEM97SIGMAR1HRH1HRH3HRH2 | |
| SCHEMBL14959461 | 0.84 | TMEM97 (0.66) | TMEM97SIGMAR1HRH1HRH3HRH2 | |
| SCHEMBL12187763 | 0.81 | TMEM97 (0.74) | TMEM97SIGMAR1HRH1HRH3HRH2 | |
| SCHEMBL12572451 | 0.81 | TMEM97 (0.56) | TMEM97SIGMAR1HRH1HRH3HRH2 | |
| SCHEMBL383293 | 0.80 | TMEM97 (0.62) | TMEM97SIGMAR1HRH1HRH3HRH2 | |
| SCHEMBL19521478 | 0.78 | TMEM97 (1.00) | TMEM97SIGMAR1HRH1HRH3HRH2 | |
| SCHEMBL20983740 | 0.77 | ABHD6 (0.82) | TMEM97SIGMAR1HRH1HRH3HRH2 | |
| SCHEMBL2814463 | 0.77 | KMT2A (0.57) | — | |
| SCHEMBL14232595 | 0.77 | KDM4E (0.53) | TMEM97SIGMAR1HRH1HRH3HRH2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2020227368-A1 | HSP90 INHIBITORS AND USES THEREOF | TRUSTEES OF BOSTON UNIVERSITY (US) | 2020-11-12 | — | — | WO | disclosed |
| WO-2008033389-A2 | MACROCYCLIC HCV INHIBITORS AND THEIR USES | NOVARTIS AG (CH) | 2008-03-20 | — | — | WO | disclosed |
| WO-2007133865-A2 | HCV/HIV INHIBITORS AN THEIR USES | NOVARTIS AG (CH) | 2007-11-22 | — | — | WO | disclosed |