Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 2/20 | 0.39 |
| ▸ | RXRA | P19793 | 2/20 | 0.38 |
| ▸ | RXRB | P28702 | 2/20 | 0.38 |
| ▸ | RXRG | P48443 | 2/20 | 0.38 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | KMO | O15229 | 2/20 | 0.33 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.33 |
| ▸ | FABP4 | P15090 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | DHODH | Q02127 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.31 |
| ▸ | BAD | Q92934 | 1/20 | 0.31 |
| ▸ | CHEK2 | O96017 | 2/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | PIN1 | Q13526 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL21906383 | 0.91 | RXRA (0.43) | S1PR1RXRARXRBRXRGNR4A2 | |
| SCHEMBL20495165 | 0.89 | TRPV1 (0.36) | S1PR1RXRARXRBRXRGKDM4E | |
| SCHEMBL21973179 | 0.84 | RXRA (0.40) | S1PR1RXRARXRBRXRGNR4A2 | |
| SCHEMBL20494983 | 0.75 | NR4A2 (0.42) | NR4A2DHODHBCL2L1BADCHEK2 | |
| SCHEMBL20495250 | 0.75 | ALDH1A1 (0.33) | S1PR1RXRARXRBRXRGALDH1A1 | |
| SCHEMBL3689256 | 0.74 | ERN1 (0.45) | RXRARXRBRXRGSMN1; SMN2KMO | |
| SCHEMBL20494844 | 0.74 | GCGR (0.33) | SMN1; SMN2KDM4ECHEK2 | |
| SCHEMBL20494964 | 0.70 | ALDH1A1 (0.34) | S1PR1RXRARXRBRXRGEGLN1 | |
| SCHEMBL2317964 | 0.70 | EPRS1 (0.40) | RXRARXRBRXRGSMN1; SMN2EGLN1 | |
| SCHEMBL21973447 | 0.69 | IKBKB (0.38) | NR4A2DHODHBCL2L1BADCHEK2 |
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 |