Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PPARA | Q07869 | 5/20 | 0.45 |
| ▸ | PPARG | P37231 | 3/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 8/20 | 0.44 |
| ▸ | THRA | P10827 | 1/20 | 0.43 |
| ▸ | THRB | P10828 | 1/20 | 0.43 |
| ▸ | CNR1 | P21554 | 1/20 | 0.42 |
| ▸ | CNR2 | P34972 | 1/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL10810295 | 1.00 | PPARA (0.45) | PPARAPPARGCYP2D6THRATHRB | |
| SCHEMBL10813119 | 0.97 | PPARA (0.46) | PPARAPPARGCYP2D6THRATHRB | |
| SCHEMBL10810673 | 0.97 | PPARA (0.46) | PPARAPPARGCYP2D6THRATHRB | |
| SCHEMBL10809673 | 0.95 | PPARA (0.47) | PPARAPPARGCYP2D6THRATHRB | |
| SCHEMBL10807017 | 0.95 | PPARA (0.47) | PPARAPPARGCYP2D6THRATHRB | |
| SCHEMBL10807861 | 0.90 | PPARA (0.46) | PPARAPPARGCYP2D6THRATHRB | |
| SCHEMBL10811971 | 0.90 | PPARA (0.46) | PPARAPPARGCYP2D6THRATHRB | |
| SCHEMBL10809261 | 0.90 | THRA (0.46) | CYP2D6THRATHRBKCNH2KDM4E | |
| SCHEMBL10805906 | 0.89 | THRA (0.41) | THRATHRBKDM4EALDH1A1LMNA | |
| SCHEMBL10805744 | 0.89 | THRA (0.41) | THRATHRBKDM4EALDH1A1LMNA |
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 |
|---|---|---|---|---|---|---|---|
| US-4640913-A | Phosphocholine derivatives having antihypertensive action | AMERICAN CYANAMID COMPANY (US) | 1987-02-03 | — | — | US | disclosed |