Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | RXRA | P19793 | 4/20 | 0.39 |
| ▸ | RXRB | P28702 | 4/20 | 0.39 |
| ▸ | RXRG | P48443 | 4/20 | 0.39 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.38 |
| ▸ | THRB | P10828 | 2/20 | 0.37 |
| ▸ | THRA | P10827 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.36 |
| ▸ | P2RX4 | Q99571 | 1/20 | 0.35 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.35 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.35 |
| ▸ | NR1H4 | Q96RI1 | 2/20 | 0.35 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.35 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.35 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.35 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL13521902 | 0.89 | CYP3A4 (0.39) | CYP3A4LMNAPOLBSLC6A2SLC6A4 | |
| SCHEMBL349585 | 0.86 | CYP3A4 (0.52) | CYP3A4RXRARXRBRXRGPTGDR2 | |
| SCHEMBL348413 | 0.86 | CYP3A4 (0.52) | CYP3A4RXRARXRBRXRGPTGDR2 | |
| SCHEMBL13521968 | 0.86 | CYP3A4 (0.51) | CYP3A4PTGDR2SLC6A3P2RX4CYP2C9 | |
| SCHEMBL12375407 | 0.86 | CYP3A4 (0.45) | CYP3A4RXRARXRBRXRGPTGDR2 | |
| SCHEMBL349569 | 0.85 | CYP3A4 (0.45) | CYP3A4RXRARXRBRXRGPTGDR2 | |
| SCHEMBL27807724 | 0.81 | CYP3A4 (0.43) | CYP3A4RXRARXRBRXRGPTGDR2 | |
| SCHEMBL349570 | 0.80 | PTGDR2 (0.40) | CYP3A4RXRARXRBRXRGPTGDR2 | |
| SCHEMBL16510020 | 0.79 | CYP3A4 (0.47) | CYP3A4RXRARXRBRXRGLMNA | |
| SCHEMBL13521934 | 0.78 | CYP3A4 (0.62) | CYP3A4PTGDR2LMNANR1H4 |
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-2010003127-A2 | ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS | AMIRA PHARMACEUTICALS, INC. (US) | 2010-01-07 | — | — | WO | disclosed |