Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.39 |
| ▸ | ADH1B | P00325 | 1/20 | 0.36 |
| ▸ | ADH1C | P00326 | 1/20 | 0.36 |
| ▸ | ADH1A | P07327 | 1/20 | 0.36 |
| ▸ | ADH4 | P08319 | 1/20 | 0.36 |
| ▸ | ADH7 | P40394 | 1/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | ZDHHC7 | Q9NXF8 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | FAAH | O00519 | 1/20 | 0.33 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.32 |
| ▸ | PRKCG | P05129 | 1/20 | 0.32 |
| ▸ | PRKCB | P05771 | 1/20 | 0.32 |
| ▸ | PRKCA | P17252 | 1/20 | 0.32 |
| ▸ | PRKCH | P24723 | 1/20 | 0.32 |
| ▸ | PRKCI | P41743 | 1/20 | 0.32 |
| ▸ | PRKCE | Q02156 | 1/20 | 0.32 |
| ▸ | PRKCQ | Q04759 | 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 | |
|---|---|---|---|---|
| SCHEMBL21509216 | 0.78 | TSHR (0.48) | ACE2ADH1BADH1CADH1AADH4 | |
| SCHEMBL19636552 | 0.78 | TSHR (0.56) | ACE2ADH1BADH1CADH1AADH4 | |
| SCHEMBL22854544 | 0.78 | ACE2 (0.47) | ACE2ADH1BADH1CADH1AADH4 | |
| SCHEMBL24673884 | 0.78 | ACE2 (0.47) | ACE2ADH1BADH1CADH1AADH4 | |
| SCHEMBL22701029 | 0.78 | ACE2 (0.47) | ACE2ADH1BADH1CADH1AADH4 | |
| SCHEMBL23869885 | 0.78 | TSHR (0.50) | ACE2ADH1BADH1CADH1AADH4 | |
| SCHEMBL4317793 | 0.77 | TSHR (0.46) | ACE2ADH1BADH1CADH1AADH4 | |
| SCHEMBL17623170 | 0.77 | — | — | |
| SCHEMBL25600405 | 0.76 | ACE2 (0.41) | ACE2ADH1BADH1CADH1AADH4 | |
| SCHEMBL245148 | 0.74 | TSHR (0.57) | ADH1BADH1CADH1AADH4ADH7 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3041821-B1 | BICYLIC COMPOUNDS AS MODULATORS OF RORGAMMA | BOEHRINGER INGELHEIM INT (DE) | 2018-05-30 | — | — | EP | disclosed |