Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCG2 | Q9UNQ0 | 8/20 | 0.59 |
| ▸ | MAPT | P10636 | 6/20 | 0.59 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.59 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.54 |
| ▸ | LMNA | P02545 | 3/20 | 0.54 |
| ▸ | TSHR | P16473 | 2/20 | 0.54 |
| ▸ | USP2 | O75604 | 2/20 | 0.54 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.54 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.53 |
| ▸ | MEN1 | O00255 | 4/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.50 |
| ▸ | HTT | P42858 | 3/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.50 |
| ▸ | HPGD | P15428 | 2/20 | 0.50 |
| ▸ | UBE2N | P61088 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL4053006 | 0.87 | CYP3A4 (0.57) | ABCG2MAPTKDM4ECYP1A2CYP3A4 | |
| SCHEMBL28819378 | 0.82 | CYP1A2 (0.54) | ABCG2MAPTKDM4ECYP1A2CYP3A4 | |
| SCHEMBL27796437 | 0.80 | CYP1A2 (0.62) | ABCG2MAPTKDM4ECYP1A2CYP3A4 | |
| SCHEMBL28819383 | 0.79 | CYP1A2 (0.55) | ABCG2MAPTKDM4ECYP1A2CYP3A4 | |
| SCHEMBL1947334 | 0.75 | CYP19A1 (0.49) | ABCG2MAPTKDM4ECYP1A2ALDH1A1 | |
| SCHEMBL7279839 | 0.74 | ABCG2 (1.00) | ABCG2MAPTKDM4ECYP1A2CYP3A4 | |
| SCHEMBL28376560 | 0.71 | CYP19A1 (0.52) | ABCG2MAPTKDM4ECYP1A2CYP3A4 | |
| SCHEMBL30144063 | 0.71 | CYP19A1 (0.52) | ABCG2MAPTKDM4ECYP1A2CYP3A4 | |
| SCHEMBL7280796 | 0.71 | CYP1A2 (1.00) | ABCG2MAPTKDM4ECYP1A2CYP3A4 | |
| SCHEMBL14727290 | 0.70 | ABCG2 (0.78) | ABCG2MAPTKDM4ECYP1A2CYP3A4 |
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 |