Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | HPGD | P15428 | 3/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.37 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.37 |
| ▸ | PTGER3 | P43115 | 1/20 | 0.37 |
| ▸ | PTGER2 | P43116 | 1/20 | 0.37 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.36 |
| ▸ | MMP1 | P03956 | 1/20 | 0.36 |
| ▸ | MMP2 | P08253 | 1/20 | 0.36 |
| ▸ | MMP3 | P08254 | 1/20 | 0.36 |
| ▸ | MMP7 | P09237 | 1/20 | 0.36 |
| ▸ | MMP9 | P14780 | 1/20 | 0.36 |
| ▸ | MMP13 | P45452 | 1/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL17381367 | 0.99 | CYP2C19 (0.49) | CYP2C19ALDH1A1HPGDSMN1; SMN2LMNA | |
| SCHEMBL17973796 | 0.90 | CYP2C19 (0.43) | CYP2C19ALDH1A1HPGDSMN1; SMN2LMNA | |
| SCHEMBL22299081 | 0.89 | CYP2C19 (0.58) | CYP2C19ALDH1A1HPGDSMN1; SMN2LMNA | |
| SCHEMBL17381514 | 0.89 | CYP2C19 (0.58) | CYP2C19ALDH1A1HPGDSMN1; SMN2LMNA | |
| Cpi 613 SCHEMBL13333201 | 0.88 | CYP2C19 (0.59) | CYP2C19ALDH1A1HPGDSMN1; SMN2LMNA | |
| Cpi 613 SCHEMBL1062218 | 0.88 | CYP2C19 (0.59) | CYP2C19ALDH1A1HPGDSMN1; SMN2LMNA | |
| SCHEMBL13333202 | 0.86 | CYP2C19 (0.50) | CYP2C19ALDH1A1HPGDSMN1; SMN2LMNA | |
| SCHEMBL16282701 | 0.85 | ALDH1A1 (0.49) | CYP2C19ALDH1A1SMN1; SMN2LMNATRPA1 | |
| SCHEMBL13333203 | 0.85 | CYP2C19 (0.46) | CYP2C19ALDH1A1HPGDSMN1; SMN2LMNA | |
| SCHEMBL14027320 | 0.84 | ALDH1A1 (0.42) | CYP2C19ALDH1A1SMN1; SMN2TRPA1POLB |
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 |
|---|---|---|---|---|---|---|---|
| EP-3189033-B1 | PHARMACEUTICAL COMPOUNDS | RAFAEL PHARMACEUTICALS INC (US) | 2020-08-05 | — | — | EP | disclosed |