Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK2 | Q15119 | 1/20 | 0.37 |
| ▸ | RXRA | P19793 | 9/20 | 0.36 |
| ▸ | RXRB | P28702 | 5/20 | 0.36 |
| ▸ | RARB | P10826 | 4/20 | 0.36 |
| ▸ | RARG | P13631 | 4/20 | 0.36 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.35 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.34 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.34 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.34 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.34 |
| ▸ | RXRG | P48443 | 3/20 | 0.33 |
| ▸ | RARA | P10276 | 2/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | HNF4A | P41235 | 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 | |
|---|---|---|---|---|
| SCHEMBL6086326 | 0.79 | RXRA (0.39) | RXRARXRBRARBRARGRXRG | |
| SCHEMBL6086569 | 0.79 | RXRA (0.39) | RXRARXRBRARBRARGRXRG | |
| SCHEMBL501768 | 0.78 | RXRA (0.42) | RXRARXRBRARBRARGNOTUM | |
| SCHEMBL29608943 | 0.78 | RXRA (0.42) | RXRARXRBRARBRARGNOTUM | |
| Benzene SCHEMBL1140991 | 0.76 | RXRA (0.44) | RXRARXRBRARBRARGRXRG | |
| SCHEMBL13708946 | 0.75 | RXRA (0.39) | RXRARXRBRARBRARGNOTUM | |
| SCHEMBL4453771 | 0.70 | KDM1A (0.47) | — | |
| SCHEMBL6449453 | 0.69 | RXRA (0.38) | RXRARXRBRARBRARGOPRM1 | |
| SCHEMBL24542931 | 0.67 | RARB (0.36) | RXRARXRBRARBRARGNOTUM | |
| SCHEMBL7610113 | 0.67 | CYP1A2 (0.35) | RXRARXRBRARBRARGNOTUM |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1265848-A2 | AMINES SUBSTITUTED WITH A DIHYDRONAPHTHALENYL, CRHOMENYL, OR THIOCHROMENYL GROUP, AN ARYL OR HETEROARYL GROUP AND AN ALKYL GROUP, HAVING RETINOID-LIKE BIOLOGICAL ACTIVITY | Allergan Sales, Inc. (US) | 2002-12-18 | — | — | EP | disclosed |
| WO-2001070668-A2 | AMINES SUBSTITUTED WITH A DIHYDRONAPHTHALENYL, CRHOMENYL, OR THIOCHROMENYL GROUP, AN ARYL OR HETEROARYL GROUP AND AN ALKYL GROUP, HAVING RETINOID-LIKE BIOLOGICAL ACTIVITY | ALLERGAN, INC. (US) | 2001-09-27 | — | — | WO | disclosed |