Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PPARA | Q07869 | 4/20 | 0.43 |
| ▸ | PPARG | P37231 | 3/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | SLC16A3 | O15427 | 2/20 | 0.42 |
| ▸ | SLC16A1 | P53985 | 2/20 | 0.42 |
| ▸ | MCTS1 | Q9ULC4 | 2/20 | 0.42 |
| ▸ | NR4A2 | P43354 | 2/20 | 0.42 |
| ▸ | MAOA | P21397 | 2/20 | 0.41 |
| ▸ | MAOB | P27338 | 2/20 | 0.41 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.39 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.39 |
| ▸ | PDK3 | Q15120 | 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 | |
|---|---|---|---|---|
| SCHEMBL11653742 | 0.96 | PPARA (0.49) | PPARAPPARGCYP3A4CYP1A2CYP2D6 | |
| SCHEMBL11660062 | 0.86 | PKM (0.39) | PPARAPPARGCYP3A4CYP1A2CYP2D6 | |
| SCHEMBL14784385 | 0.85 | ALDH1A1 (0.46) | MEN1MAPTKMT2AALDH1A1PDK1 | |
| SCHEMBL31518081 | 0.85 | ALDH1A1 (0.46) | MEN1MAPTKMT2AALDH1A1PDK1 | |
| SCHEMBL11663116 | 0.85 | ALDH1A1 (0.43) | PPARAPPARGMEN1MAPTKMT2A | |
| SCHEMBL11654721 | 0.83 | ABCC4 (0.42) | — | |
| SCHEMBL11658911 | 0.81 | PPARA (0.44) | PPARAPPARGMEN1MAPTKMT2A | |
| SCHEMBL11662236 | 0.81 | NR4A2 (0.44) | PPARAPPARGCYP3A4CYP1A2CYP2C19 | |
| SCHEMBL11657373 | 0.77 | PPARA (0.48) | PPARAPPARGMEN1MAPTKMT2A | |
| SCHEMBL11655188 | 0.77 | SLC1A3 (0.45) | PPARAPPARGCYP1A2MAPTMAOB |
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-4107329-A | Fluorinated compounds as therapeutics | IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) | 1978-08-15 | — | — | US | disclosed |