Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.64 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.52 |
| ▸ | TSHR | P16473 | 5/20 | 0.52 |
| ▸ | GAA | P10253 | 3/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.52 |
| ▸ | LMNA | P02545 | 1/20 | 0.52 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.51 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL23975627 | 0.86 | ALDH1A1 (0.54) | ALDH1A1KMT2ATSHRGAALMNA | |
| SCHEMBL13559790 | 0.82 | PKM (0.48) | ALDH1A1KMT2ATSHRGAALMNA | |
| SCHEMBL25773259 | 0.81 | KMT2A (0.46) | ALDH1A1KMT2AKDM4ETSHRGAA | |
| SCHEMBL16377772 | 0.81 | L3MBTL1 (0.53) | ALDH1A1KMT2AKDM4ETSHRGAA | |
| SCHEMBL8257182 | 0.81 | GAA (0.64) | ALDH1A1KMT2AKDM4ETSHRGAA | |
| SCHEMBL13783326 | 0.81 | L3MBTL1 (0.64) | ALDH1A1KDM4ETSHRGAALMNA | |
| SCHEMBL13745743 | 0.81 | GAA (0.64) | ALDH1A1KMT2AKDM4ETSHRGAA | |
| SCHEMBL29117235 | 0.80 | ALDH1A1 (0.60) | ALDH1A1KMT2AKDM4ETSHRGAA | |
| SCHEMBL29117233 | 0.80 | ALDH1A1 (0.60) | ALDH1A1KMT2AKDM4ETSHRGAA | |
| SCHEMBL10211539 | 0.79 | EPHX1 (0.61) | ALDH1A1KDM4EL3MBTL1EPHX2 |
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-3141252-A1 | INHIBITORS OF INFLUENZA VIRUSES REPLICATION | Vertex Pharmaceuticals Inc. (US) | 2017-03-15 | — | — | EP | disclosed |