Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | HPGD | P15428 | 2/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | CA12 | O43570 | 2/20 | 0.37 |
| ▸ | CA1 | P00915 | 2/20 | 0.37 |
| ▸ | CA2 | P00918 | 2/20 | 0.37 |
| ▸ | CA7 | P43166 | 2/20 | 0.37 |
| ▸ | CA9 | Q16790 | 2/20 | 0.37 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.37 |
| ▸ | CA4 | P22748 | 1/20 | 0.37 |
| ▸ | ERN1 | O75460 | 2/20 | 0.35 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.35 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL27699035 | 0.84 | CYP3A4 (0.56) | CYP3A4ALDH1A1HPGDTDP1KDM4E | |
| SCHEMBL29471398 | 0.81 | ALDH1A1 (0.61) | CYP3A4ALDH1A1HPGDTDP1CA12 | |
| SCHEMBL77114 | 0.81 | ALDH1A1 (0.61) | CYP3A4ALDH1A1HPGDTDP1CA12 | |
| SCHEMBL28210896 | 0.80 | CYP3A4 (0.60) | CYP3A4ALDH1A1HPGDTDP1GABRA1 | |
| SCHEMBL1332133 | 0.80 | CYP3A4 (0.57) | CYP3A4ALDH1A1HPGDTDP1CA12 | |
| SCHEMBL2169591 | 0.80 | CYP3A4 (0.52) | CYP3A4ALDH1A1HPGDTDP1CA12 | |
| SCHEMBL4726617 | 0.80 | CYP3A4 (0.68) | CYP3A4ALDH1A1HPGDTDP1CA12 | |
| SCHEMBL30438740 | 0.80 | CYP3A4 (0.57) | CYP3A4ALDH1A1HPGDTDP1CA12 | |
| SCHEMBL3548169 | 0.79 | CYP3A4 (0.50) | CYP3A4ALDH1A1HPGDTDP1CA12 | |
| SCHEMBL3399416 | 0.79 | CYP3A4 (0.50) | CYP3A4ALDH1A1HPGDTDP1CA12 |
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-2078018-A1 | HETEROARYL COMPOUNDS, COMPOSITIONS THEREOF, AND USE THEREOF AS PROTEIN KINASE INHIBITORS | Signal Pharmaceuticals LLC (US) | 2009-07-15 | — | — | EP | disclosed |
| WO-2008051494-A1 | HETEROARYL COMPOUNDS, COMPOSITIONS THEREOF, AND USE THEREOF AS PROTEIN KINASE INHIBITORS | SIGNAL PHARMACEUTICALS, LLC (US) | 2008-05-02 | — | — | WO | disclosed |