Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 1/20 | 0.70 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.70 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.70 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.70 |
| ▸ | RXFP1 | Q9HBX9 | 9/20 | 0.59 |
| ▸ | YAP1 | P46937 | 1/20 | 0.58 |
| ▸ | TEAD4 | Q15561 | 1/20 | 0.58 |
| ▸ | TEAD2 | Q15562 | 1/20 | 0.58 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.50 |
| ▸ | BRAF | P15056 | 1/20 | 0.49 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.48 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.48 |
| ▸ | MPO | P05164 | 3/20 | 0.48 |
| ▸ | SYK | P43405 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL4563521 | 0.89 | LMNA (0.68) | LMNACYP1A2CYP2C9CYP2C19RXFP1 | |
| Acetic Acid SCHEMBL28343495 | 0.87 | LMNA (0.64) | LMNACYP1A2CYP2C9CYP2C19RXFP1 | |
| SCHEMBL12715082 | 0.86 | LMNA (0.91) | LMNACYP1A2CYP2C9CYP2C19RXFP1 | |
| Ufenamate SCHEMBL29376700 | 0.86 | CYP1A2 (0.72) | LMNACYP1A2CYP2C9CYP2C19RXFP1 | |
| Ufenamate SCHEMBL36095 | 0.86 | CYP1A2 (0.72) | LMNACYP1A2CYP2C9CYP2C19RXFP1 | |
| SCHEMBL10597386 | 0.85 | LMNA (0.71) | LMNACYP1A2CYP2C9CYP2C19RXFP1 | |
| Etofenamate SCHEMBL25152 | 0.83 | LMNA (1.00) | LMNACYP1A2CYP2C9CYP2C19RXFP1 | |
| SCHEMBL9271694 | 0.82 | RXFP1 (0.70) | LMNACYP1A2CYP2C9CYP2C19RXFP1 | |
| SCHEMBL13299181 | 0.82 | LMNA (0.67) | LMNACYP1A2CYP2C9CYP2C19RXFP1 | |
| SCHEMBL11579676 | 0.82 | LMNA (0.67) | LMNACYP1A2CYP2C9CYP2C19RXFP1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2102194-A1 | SUBSTITUTED PYRIMIDINES AND THEIR USE AS JNK MODULATORS | F. Hoffmann-Roche AG (CH) | 2009-09-23 | — | — | EP | claimed |
| WO-2008068171-A9 | SUBSTITUTED PYRIMIDINES AND THEIR USE AS JNK MODULATORS | HOFFMANN LA ROCHE (CH) | 2009-07-16 | — | — | WO | claimed |
| WO-2008068171-A1 | SUBSTITUTED PYRIMIDINES AND THEIR USE AS JNK MODULATORS | F. HOFFMANN-LA ROCHE AG (CH) | 2008-06-12 | — | — | WO | claimed |