Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 2/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.51 |
| ▸ | HTT | P42858 | 1/20 | 0.51 |
| ▸ | RAB9A | P51151 | 1/20 | 0.51 |
| ▸ | ACE2 | Q9BYF1 | 4/20 | 0.46 |
| ▸ | GRM1 | Q13255 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 2/20 | 0.39 |
| ▸ | CA1 | P00915 | 2/20 | 0.39 |
| ▸ | CA2 | P00918 | 2/20 | 0.39 |
| ▸ | CA4 | P22748 | 2/20 | 0.39 |
| ▸ | CA6 | P23280 | 2/20 | 0.39 |
| ▸ | CA7 | P43166 | 2/20 | 0.39 |
| ▸ | CA9 | Q16790 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL2627846 | 0.87 | ACE2 (0.56) | LMNAMAPK1HTTRAB9AACE2 | |
| SCHEMBL18285572 | 0.85 | LMNA (0.50) | LMNAMAPK1HTTRAB9AACE2 | |
| SCHEMBL27822624 | 0.84 | LMNA (0.50) | LMNAMAPK1HTTRAB9AACE2 | |
| SCHEMBL3649293 | 0.84 | GRM1 (0.51) | LMNAMAPK1HTTRAB9AACE2 | |
| SCHEMBL12584011 | 0.84 | GRM1 (0.51) | LMNAMAPK1HTTRAB9AACE2 | |
| SCHEMBL7768437 | 0.82 | ACE2 (0.50) | RAB9AACE2GRM1KMT2AMEN1 | |
| Hydrochloric Acid SCHEMBL6559020 | 0.82 | GRM1 (0.50) | LMNAMAPK1HTTRAB9AACE2 | |
| Hydrochloric Acid SCHEMBL20539066 | 0.82 | GRM1 (0.50) | LMNAMAPK1HTTRAB9AACE2 | |
| Hydrochloric Acid SCHEMBL3654866 | 0.82 | GRM1 (0.50) | LMNAMAPK1HTTRAB9AACE2 | |
| SCHEMBL12491998 | 0.81 | ACE2 (0.60) | LMNAMAPK1HTTRAB9AACE2 |
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-2021203014-A1 | PYRANO[4,3-B]L NDOLE DERIVATIVES AS ALPHA-1 -ANTITRYPSIN MODULATORS FOR TREATING ALPHA-1 -ANTITRYPSIN DEFICIENCY (AATD) | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2021-10-07 | — | — | WO | disclosed |