Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.34 |
| ▸ | HPGD | P15428 | 3/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | ALPL | P05186 | 1/20 | 0.33 |
| ▸ | ALPI | P09923 | 1/20 | 0.33 |
| ▸ | ALPG | P10696 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | MMP3 | P08254 | 3/20 | 0.32 |
| ▸ | MMP13 | P45452 | 3/20 | 0.32 |
| ▸ | MMP2 | P08253 | 2/20 | 0.32 |
| ▸ | MMP9 | P14780 | 2/20 | 0.32 |
| ▸ | MMP1 | P03956 | 1/20 | 0.32 |
| ▸ | MMP7 | P09237 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL10307812 | 0.77 | CSNK1E (0.39) | CYP2C19CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL17382647 | 0.76 | CSNK1E (0.41) | CYP2C19CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL22912377 | 0.75 | CYP2C19 (0.40) | CYP2C19ALDH1A1HPGDSMN1; SMN2LMNA | |
| SCHEMBL22912363 | 0.75 | CYP2C19 (0.37) | CYP2C19ALDH1A1HPGDSMN1; SMN2LMNA | |
| SCHEMBL20395792 | 0.74 | CYP2C19 (0.63) | CYP2C19ALDH1A1HPGDSMN1; SMN2LMNA | |
| SCHEMBL22912361 | 0.73 | CYP2C19 (0.38) | CYP2C19ALDH1A1HPGDSMN1; SMN2LMNA | |
| SCHEMBL17381367 | 0.73 | CYP2C19 (0.49) | CYP2C19ALDH1A1HPGDSMN1; SMN2LMNA | |
| SCHEMBL17382611 | 0.73 | CYP2C19 (0.36) | CYP2C19CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL20395088 | 0.73 | CYP2C19 (0.56) | CYP2C19CYP1A2CYP3A4CYP2D6CYP2C9 | |
| Cpi 613 SCHEMBL1062218 | 0.72 | CYP2C19 (0.59) | CYP2C19ALDH1A1HPGDSMN1; SMN2LMNA |
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 |