Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MELK | Q14680 | 2/20 | 0.41 |
| ▸ | RXRA | P19793 | 2/20 | 0.39 |
| ▸ | RXRB | P28702 | 2/20 | 0.39 |
| ▸ | RXRG | P48443 | 2/20 | 0.39 |
| ▸ | WNT1 | P04628 | 3/20 | 0.39 |
| ▸ | GSK3B | P49841 | 3/20 | 0.39 |
| ▸ | DYRK1A | Q13627 | 3/20 | 0.39 |
| ▸ | DVL1 | O14640 | 1/20 | 0.39 |
| ▸ | ESR1 | P03372 | 1/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.39 |
| ▸ | EP300 | Q09472 | 2/20 | 0.38 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.36 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.36 |
| ▸ | FFAR4 | Q5NUL3 | 3/20 | 0.36 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.36 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.36 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9053391 | 0.80 | DVL1 (0.44) | RXRARXRBRXRGDVL1ESR1 | |
| SCHEMBL9055061 | 0.77 | S1PR1 (0.48) | RXRARXRBRXRGDVL1HRH3 | |
| SCHEMBL9057943 | 0.76 | DVL1 (0.50) | RXRARXRBRXRGDVL1ESR1 | |
| Hydrochloric Acid SCHEMBL9062779 | 0.75 | DVL1 (0.49) | RXRARXRBRXRGDVL1ESR1 | |
| SCHEMBL8559863 | 0.73 | S1PR1 (0.50) | RXRARXRBRXRGESR1HRH3 | |
| Hydrochloric Acid SCHEMBL9057948 | 0.73 | DVL1 (0.56) | RXRARXRBRXRGDVL1LMNA | |
| Hydrochloric Acid SCHEMBL9057996 | 0.73 | DVL1 (0.45) | RXRARXRBRXRGDVL1ESR1 | |
| Hydrochloric Acid SCHEMBL8563445 | 0.73 | S1PR1 (0.49) | RXRARXRBRXRGESR1HRH3 | |
| SCHEMBL8559326 | 0.71 | S1PR1 (0.47) | RXRARXRBRXRGESR1HRH3 | |
| SCHEMBL9056558 | 0.69 | RXRA (0.42) | RXRARXRBRXRGDVL1FFAR1 |
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-1996004271-A1 | CONDENSED AZEPINE DERIVATIVES, DRUGS CONTAINING THESE COMPOUNDS AND METHODS FOR PREPARING THEM | DR. KARL THOMAE GMBH (DE) | 1996-02-15 | — | — | WO | disclosed |