Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.50 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.50 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.49 |
| ▸ | ESR1 | P03372 | 3/20 | 0.48 |
| ▸ | ADRA2A | P08913 | 3/20 | 0.48 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.48 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.48 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.48 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.48 |
| ▸ | LMNA | P02545 | 3/20 | 0.48 |
| ▸ | TACR2 | P21452 | 2/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.48 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.48 |
| ▸ | EGFR | P00533 | 2/20 | 0.48 |
| ▸ | LCK | P06239 | 2/20 | 0.48 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.48 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.48 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL9628206 | 1.00 | SIGMAR1 (0.50) | SIGMAR1TMEM97OPRK1ESR1ADRA2A | |
| SCHEMBL487003 | 0.90 | SIGMAR1 (0.43) | SIGMAR1SLC6A4HTT | |
| SCHEMBL18182128 | 0.89 | OPRK1 (0.60) | SIGMAR1TMEM97OPRK1ESR1ADRA2A | |
| SCHEMBL15907606 | 0.81 | SIGMAR1 (0.59) | SIGMAR1MEN1KMT2A | |
| SCHEMBL104946 | 0.80 | ESR1 (0.55) | SIGMAR1TMEM97OPRK1ESR1ADRA2A | |
| SCHEMBL9627281 | 0.79 | HTT (0.57) | SIGMAR1KDM4EALDH1A1CALM1MAPK1 | |
| SCHEMBL692205 | 0.79 | ESR1 (0.53) | SIGMAR1TMEM97OPRK1ESR1ADRA2A | |
| SCHEMBL11573656 | 0.76 | ESR1 (0.47) | SIGMAR1TMEM97OPRK1ESR1ADRA2A | |
| Pholedrine SCHEMBL119262 | 0.76 | TAAR1 (0.63) | SIGMAR1ESR1ADORA3SLC6A2SLC6A4 | |
| Pholedrine SCHEMBL15286090 | 0.76 | TAAR1 (0.63) | SIGMAR1ESR1ADORA3SLC6A2SLC6A4 |
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-2021195401-A1 | TECHNOLOGIES FOR PREVENTING OR TREATING INFECTIONS | BIOHAVEN THERAPEUTICS LTD. (US) | 2021-09-30 | — | — | WO | disclosed |