Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | RXRA | P19793 | 1/20 | 0.32 |
| ▸ | RXRB | P28702 | 1/20 | 0.32 |
| ▸ | RXRG | P48443 | 1/20 | 0.32 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL21973179 | 0.78 | RXRA (0.40) | ALDH1A1L3MBTL1RXRARXRBRXRG | |
| SCHEMBL21906383 | 0.76 | RXRA (0.43) | ALDH1A1L3MBTL1RXRARXRBRXRG | |
| SCHEMBL20495249 | 0.75 | S1PR1 (0.39) | ALDH1A1L3MBTL1RXRARXRBRXRG | |
| SCHEMBL20495165 | 0.71 | TRPV1 (0.36) | ALDH1A1RXRARXRBRXRGS1PR1 | |
| SCHEMBL20494964 | 0.67 | ALDH1A1 (0.34) | ALDH1A1L3MBTL1RXRARXRBRXRG | |
| SCHEMBL21973447 | 0.64 | IKBKB (0.38) | — | |
| SCHEMBL21973163 | 0.63 | ULK1 (0.35) | RXRARXRBRXRG | |
| SCHEMBL20494983 | 0.61 | NR4A2 (0.42) | — | |
| SCHEMBL3689256 | 0.60 | ERN1 (0.45) | RXRARXRBRXRG | |
| SCHEMBL13944438 | 0.60 | ERN1 (0.45) | ALDH1A1RXRARXRBRXRG |
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-2018165612-A1 | BACTERIAL EFFLUX PUMP INHIBITORS | RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) | 2018-09-13 | — | — | WO | disclosed |