Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | JAK3 | P52333 | 5/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | CPN1 | P15169 | 1/20 | 0.35 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 2/20 | 0.35 |
| ▸ | CA2 | P00918 | 2/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | PLAT | P00750 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | DPP4 | P27487 | 3/20 | 0.31 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.31 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL19352913 | 1.00 | JAK3 (0.37) | JAK3HPGDCPN1CPB2CA1 | |
| SCHEMBL20892986 | 0.85 | JAK3 (0.40) | JAK3HPGDCPN1CPB2CA1 | |
| SCHEMBL17173935 | 0.83 | ALDH1A1 (0.36) | HPGDCPN1CPB2CA1CA2 | |
| SCHEMBL17173934 | 0.83 | ALDH1A1 (0.36) | HPGDCPN1CPB2CA1CA2 | |
| SCHEMBL19618184 | 0.82 | HPGD (0.33) | HPGDCPN1CPB2CA1CA2 | |
| SCHEMBL22305382 | 0.82 | HPGD (0.33) | HPGDCPN1CPB2CA1CA2 | |
| SCHEMBL463524 | 0.82 | EPHX2 (0.40) | HPGDCPN1CPB2CA1CA2 | |
| SCHEMBL7883654 | 0.82 | EPHX2 (0.40) | HPGDCPN1CPB2CA1CA2 | |
| SCHEMBL20082953 | 0.82 | EPHX2 (0.40) | HPGDCPN1CPB2CA1CA2 | |
| SCHEMBL15502230 | 0.82 | HPGD (0.35) | HPGDCPN1CPB2CA1CA2 |
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-2890691-B1 | BENZIMIDAZOLE DERIVATIVES AS ITK INHIBITORS | PRINCIPIA BIOPHARMA INC (US) | 2018-04-25 | — | — | EP | disclosed |