Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 4/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | ALPL | P05186 | 1/20 | 0.35 |
| ▸ | ALPI | P09923 | 1/20 | 0.35 |
| ▸ | ALPG | P10696 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.34 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.34 |
| ▸ | PTGER3 | P43115 | 1/20 | 0.34 |
| ▸ | PTGER2 | P43116 | 1/20 | 0.34 |
| ▸ | MMP1 | P03956 | 1/20 | 0.33 |
| ▸ | MMP2 | P08253 | 1/20 | 0.33 |
| ▸ | MMP3 | P08254 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Cpi 613 SCHEMBL13333201 | 0.86 | CYP2C19 (0.59) | CYP2C19HPGDALDH1A1SMN1; SMN2LMNA | |
| Cpi 613 SCHEMBL1062218 | 0.86 | CYP2C19 (0.59) | CYP2C19HPGDALDH1A1SMN1; SMN2LMNA | |
| SCHEMBL13333202 | 0.84 | CYP2C19 (0.50) | CYP2C19HPGDALDH1A1SMN1; SMN2LMNA | |
| SCHEMBL22299081 | 0.84 | CYP2C19 (0.58) | CYP2C19HPGDALDH1A1SMN1; SMN2LMNA | |
| SCHEMBL17381514 | 0.84 | CYP2C19 (0.58) | CYP2C19HPGDALDH1A1SMN1; SMN2LMNA | |
| SCHEMBL14048327 | 0.84 | CYP2C19 (0.31) | CYP2C19 | |
| SCHEMBL17381367 | 0.83 | CYP2C19 (0.49) | CYP2C19HPGDALDH1A1SMN1; SMN2LMNA | |
| SCHEMBL10307812 | 0.82 | CSNK1E (0.39) | CYP2C19CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL38657422 | 0.82 | CYP2C19 (0.39) | CYP2C19CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL22299026 | 0.82 | CYP2C19 (0.48) | CYP2C19HPGDALDH1A1SMN1; 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-2011143593-A1 | CONJUGATES OF A LIPOIC ACID DERIVATIVE AND ANTI-PROLIFERATION AGENT AND MEDICAL USES THEREOF | CORNERSTONE PHARMACEUTICALS, INC. (US) | 2011-11-17 | — | — | WO | disclosed |