Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 3/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | PPARG | P37231 | 2/20 | 0.35 |
| ▸ | PPARA | Q07869 | 2/20 | 0.35 |
| ▸ | MMP1 | P03956 | 3/20 | 0.35 |
| ▸ | MMP2 | P08253 | 3/20 | 0.35 |
| ▸ | MMP3 | P08254 | 3/20 | 0.35 |
| ▸ | MMP9 | P14780 | 3/20 | 0.35 |
| ▸ | MMP13 | P45452 | 3/20 | 0.35 |
| ▸ | MMP7 | P09237 | 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 | |
|---|---|---|---|---|
| SCHEMBL22912361 | 0.84 | CYP2C19 (0.38) | CYP2C19LMNASMN1; SMN2ALDH1A1HPGD | |
| SCHEMBL22912363 | 0.83 | CYP2C19 (0.37) | CYP2C19LMNASMN1; SMN2ALDH1A1HPGD | |
| SCHEMBL22912360 | 0.77 | CYP2C19 (0.46) | CYP2C19LMNASMN1; SMN2ALDH1A1HPGD | |
| SCHEMBL13333203 | 0.77 | CYP2C19 (0.46) | CYP2C19LMNASMN1; SMN2ALDH1A1HPGD | |
| SCHEMBL26613582 | 0.76 | CYP2C19 (0.41) | CYP2C19LMNASMN1; SMN2ALDH1A1HPGD | |
| SCHEMBL22912362 | 0.76 | CYP2C19 (0.44) | CYP2C19LMNASMN1; SMN2ALDH1A1HPGD | |
| SCHEMBL22912386 | 0.75 | CYP2C19 (0.39) | CYP2C19LMNASMN1; SMN2ALDH1A1HPGD | |
| SCHEMBL20395792 | 0.74 | CYP2C19 (0.63) | CYP2C19LMNASMN1; SMN2ALDH1A1HPGD | |
| SCHEMBL26613581 | 0.74 | CYP2C19 (0.42) | CYP2C19LMNASMN1; SMN2ALDH1A1HPGD | |
| SCHEMBL20395088 | 0.73 | CYP2C19 (0.56) | CYP2C19LMNASMN1; SMN2ALDH1A1HPGD |
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-2021011334-A1 | DEUTERATED DERIVATIVES OF 6,8-BIS(BENZYLSULFANYL)OCTANOIC ACID | RAFAEL PHARMACEUTICALS, INC. (US) | 2021-01-21 | — | — | WO | disclosed |