Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 2/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.52 |
| ▸ | PDE10A | Q9Y233 | 8/20 | 0.51 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.48 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | BLM | P54132 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | USP2 | O75604 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL5577400 | 0.90 | MEN1 (0.56) | MEN1KMT2ACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL5578378 | 0.82 | PDE10A (0.58) | MEN1KMT2ACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL1895441 | 0.82 | PIK3CD (0.48) | PDE10AKCNH2HRH3LMNAMAPK1 | |
| SCHEMBL1895439 | 0.82 | PIK3CD (0.48) | PDE10AKCNH2HRH3LMNAMAPK1 | |
| SCHEMBL5578380 | 0.76 | PDE10A (0.53) | MEN1KMT2ACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL4956988 | 0.75 | LMNA (0.67) | MEN1KMT2ACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL12659732 | 0.74 | PIK3CD (0.48) | PDE10AKCNH2HRH3MAPT | |
| SCHEMBL12659747 | 0.73 | HRH3 (0.54) | MEN1KMT2ACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL1894544 | 0.72 | CXCR3 (0.59) | CYP3A4 | |
| SCHEMBL1894543 | 0.72 | CXCR3 (0.59) | CYP3A4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1771447-A1 | FUSED PYRIMIDINE DERIVATIVES AND COMPOSITIONS THEREOF AS CXCR3 RECEPTOR MODULATORS, USEFUL IN PREVENTION AND TREATMENT OF INFLAMMATORY AND IMMUNOREGULATORY DISORDERS AND DISEASES | Amgen SF LLC (US) | 2007-04-11 | — | — | EP | disclosed |
| WO-2006004915-A1 | FUSED PYRIMIDINE DERIVATIVES AND COMPOSITIONS THEREOF AS CXCR3 RECEPTOR MODULATORS, USEFUL IN PREVENTION AND TREATMENT OF INFLAMMATORY AND IMMUNOREGULATORY DISORDERS AND DISEASES | AMGEN SF, LLC (US) | 2006-01-12 | — | — | WO | disclosed |