Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMPD1 | P17405 | 1/20 | 0.34 |
| ▸ | PPARG | P37231 | 4/20 | 0.34 |
| ▸ | PPARA | Q07869 | 2/20 | 0.34 |
| ▸ | LTB4R | Q15722 | 2/20 | 0.32 |
| ▸ | PLA2G2D | Q9UNK4 | 1/20 | 0.32 |
| ▸ | GCGR | P47871 | 2/20 | 0.31 |
| ▸ | MAPT | P10636 | 2/20 | 0.31 |
| ▸ | RAD52 | P43351 | 2/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | APAF1 | O14727 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | BLM | P54132 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 2/20 | 0.31 |
| ▸ | HTT | P42858 | 2/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | THRA | P10827 | 1/20 | 0.31 |
| ▸ | THRB | P10828 | 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 | |
|---|---|---|---|---|
| SCHEMBL8568691 | 0.90 | PDE5A (0.32) | PPARGPPARAMAPTRAD52KDM4E | |
| SCHEMBL8573074 | 0.83 | HTT (0.38) | SMPD1PPARGPPARALTB4RPLA2G2D | |
| SCHEMBL8571022 | 0.83 | HTT (0.38) | SMPD1PPARGPPARALTB4RPLA2G2D | |
| SCHEMBL8571303 | 0.80 | FAAH (0.36) | PPARALTB4R | |
| SCHEMBL8428935 | 0.77 | SMPD1 (0.38) | SMPD1MAPTKDM4ELMNAMEN1 | |
| SCHEMBL8668759 | 0.74 | RARB (0.40) | SMPD1PPARGPLA2G2DMAPTRAD52 | |
| SCHEMBL8565144 | 0.74 | CNR2 (0.42) | SMPD1MAPTAPAF1ALDH1A1MEN1 | |
| SCHEMBL8566714 | 0.73 | HTT (0.36) | LTB4RMAPTRAD52KDM4EAPAF1 | |
| SCHEMBL8426113 | 0.71 | CES1 (0.30) | — | |
| SCHEMBL8571237 | 0.70 | CNR2 (0.41) | SMPD1LTB4RALDH1A1MEN1HTT |
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-5779934-A | FLUORINATING AN ALCOHOL DERIVATIVE | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1998-07-14 | — | — | US | disclosed |