Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.50 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.47 |
| ▸ | LSS | P48449 | 1/20 | 0.46 |
| ▸ | CA12 | O43570 | 2/20 | 0.44 |
| ▸ | CA2 | P00918 | 2/20 | 0.44 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.43 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.43 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.43 |
| ▸ | MAOA | P21397 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
| ▸ | TLR7 | Q9NYK1 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL828208 | 0.84 | CA2 (0.49) | CA12CA2MRGPRX4 | |
| SCHEMBL3800027 | 0.81 | CA2 (0.49) | CA12CA2MRGPRX4MAOAMAOB | |
| SCHEMBL3164463 | 0.80 | NR5A1 (0.47) | CA12CA2MRGPRX4 | |
| SCHEMBL6445558 | 0.79 | LTA4H (0.47) | CA12CA2MRGPRX4 | |
| SCHEMBL5564792 | 0.78 | MRGPRX4 (0.50) | ALDH1A1CA12CA2MRGPRX4 | |
| SCHEMBL2988516 | 0.78 | MRGPRX4 (0.47) | KDM4ECA12CA2MRGPRX4 | |
| SCHEMBL3793751 | 0.77 | CA2 (0.51) | ALDH1A1CA12CA2MRGPRX4 | |
| SCHEMBL1796634 | 0.76 | KDM4E (0.54) | KDM4EALDH1A1SMN1; SMN2HRH3LSS | |
| SCHEMBL9671156 | 0.74 | KDM4E (0.83) | KDM4EALDH1A1SMN1; SMN2HRH3LSS | |
| SCHEMBL9309505 | 0.73 | SIGMAR1 (0.35) | CA12CA2 |
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-1594857-A2 | N-MONOACYLATED O-PHENYLENEDIAMINES AS ANTI-CANCER AGENTS | F. HOFFMANN-LA ROCHE AG (CH) | 2005-11-16 | — | — | EP | disclosed |
| WO-2004069133-A2 | N-MONOACYLATED O-PHENYLENEDIAMINES AS ANTI -CANCER AGENTS | F. HOFFMANN-LA ROCHE AG (CH) | 2004-08-19 | — | — | WO | disclosed |