Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM2 | Q14416 | 1/20 | 0.39 |
| ▸ | TNKS | O95271 | 3/20 | 0.36 |
| ▸ | PARP1 | P09874 | 3/20 | 0.36 |
| ▸ | TNKS2 | Q9H2K2 | 3/20 | 0.36 |
| ▸ | TRPV4 | Q9HBA0 | 2/20 | 0.34 |
| ▸ | XPO1 | O14980 | 1/20 | 0.33 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.32 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.32 |
| ▸ | KCNN4 | O15554 | 2/20 | 0.31 |
| ▸ | TOP1 | P11387 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL163642 | 0.83 | GRM2 (0.36) | GRM2TNKSPARP1TNKS2TRPV4 | |
| SCHEMBL164199 | 0.79 | CCNE2 (0.41) | GRM2TNKSTNKS2KDM4EMEN1 | |
| SCHEMBL174053 | 0.71 | NTRK1 (0.50) | CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL176103 | 0.69 | MEN1 (0.33) | KDM4EMEN1KMT2A | |
| SCHEMBL164991 | 0.69 | GRM2 (0.41) | GRM2KDM4EMEN1KMT2AALDH1A1 | |
| SCHEMBL160936 | 0.69 | ENPP3 (0.36) | ENPP1GAA | |
| SCHEMBL163623 | 0.69 | NR1H2 (0.35) | PARP1KDM4EMEN1KMT2AADORA2A | |
| SCHEMBL162509 | 0.69 | PDE7A (0.38) | TNKSPARP1TNKS2MEN1KMT2A | |
| SCHEMBL164859 | 0.69 | ADORA3 (0.43) | ADORA2AADORA1 | |
| SCHEMBL174746 | 0.69 | HTR2C (0.44) | GAA |
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-2401267-A1 | JAK KINASE MODULATING QUINAZOLINE DERIVATIVES AND METHODS OF USE THEREOF | Ambit Biosciences Corporation (US) | 2012-01-04 | — | — | EP | disclosed |
| WO-2010099379-A1 | JAK KINASE MODULATING QUINAZOLINE DERIVATIVES AND METHODS OF USE THEREOF | AMBIT BIOSCIENCES CORPORATION (US) | 2010-09-02 | — | — | WO | disclosed |