Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MRGPRX4 | Q96LA9 | 2/20 | 0.50 |
| ▸ | CA2 | P00918 | 10/20 | 0.46 |
| ▸ | CA12 | O43570 | 10/20 | 0.46 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.43 |
| ▸ | CA1 | P00915 | 2/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
| ▸ | CA4 | P22748 | 1/20 | 0.43 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.41 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.41 |
| ▸ | P2RY12 | Q9H244 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.41 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.40 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.39 |
| ▸ | WNT3A | P56704 | 1/20 | 0.39 |
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 | 0.83 | CA2 (0.49) | MRGPRX4CA2CA12CYP2A6CA1 | |
| SCHEMBL3800027 | 0.83 | CA2 (0.49) | MRGPRX4CA2CA12CYP2A6CA1 | |
| SCHEMBL2988516 | 0.83 | MRGPRX4 (0.47) | MRGPRX4CA2CA12CYP2A6ENPP1 | |
| SCHEMBL8615953 | 0.79 | CA1 (0.59) | CA2CA12CA1CA9CA4 | |
| SCHEMBL3164463 | 0.79 | NR5A1 (0.47) | MRGPRX4CA2CA12 | |
| SCHEMBL3793751 | 0.79 | CA2 (0.51) | MRGPRX4CA2CA12CYP2A6CA1 | |
| SCHEMBL6468074 | 0.78 | KDM4E (0.50) | MRGPRX4CA2CA12ALDH1A1 | |
| SCHEMBL15890442 | 0.77 | CA1 (0.54) | CA2CA12CA1CA9CA4 | |
| SCHEMBL3480371 | 0.77 | CYP2A6 (0.37) | MRGPRX4CA2CA12CYP2A6CA1 | |
| SCHEMBL6445558 | 0.75 | LTA4H (0.47) | MRGPRX4CA2CA12 |
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 |
|---|---|---|---|---|---|---|---|
| US-7208491-B2 | N-monoacylated o-phenylenediamines | HOFFMANN-LA ROCHE INC. (US) | 2007-04-24 | — | — | US | disclosed |
| 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 |