Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABBR2 | O75899 | 1/20 | 0.43 |
| ▸ | GABBR1 | Q9UBS5 | 1/20 | 0.43 |
| ▸ | GSK3B | P49841 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | TOP2A | P11388 | 1/20 | 0.35 |
| ▸ | TOP2B | Q02880 | 1/20 | 0.35 |
| ▸ | F2 | P00734 | 1/20 | 0.34 |
| ▸ | DAO | P14920 | 1/20 | 0.34 |
| ▸ | WRN | Q14191 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL27911200 | 1.00 | GABBR2 (0.43) | GABBR2GABBR1GSK3BCYP3A4CYP2D6 | |
| SCHEMBL21722781 | 0.83 | GABBR2 (0.41) | GABBR2GABBR1GSK3BCYP3A4CYP2D6 | |
| SCHEMBL21722780 | 0.83 | GABBR2 (0.41) | GABBR2GABBR1GSK3BCYP3A4CYP2D6 | |
| SCHEMBL5250926 | 0.83 | GABBR2 (0.43) | GABBR2GABBR1GSK3BCYP3A4CYP2D6 | |
| SCHEMBL5247316 | 0.83 | GABBR2 (0.43) | GABBR2GABBR1GSK3BCYP3A4CYP2D6 | |
| SCHEMBL5246292 | 0.83 | GABBR2 (0.43) | GABBR2GABBR1GSK3BCYP3A4CYP2D6 | |
| SCHEMBL22585593 | 0.81 | GABBR2 (0.42) | GABBR2GABBR1GSK3BCYP3A4CYP2D6 | |
| SCHEMBL17459297 | 0.81 | GABBR2 (0.54) | GABBR2GABBR1GSK3BCYP3A4CYP2D6 | |
| SCHEMBL9522198 | 0.77 | TOP2A (0.45) | GABBR2GABBR1GSK3BCYP3A4CYP2D6 | |
| SCHEMBL31378989 | 0.76 | GABBR2 (0.42) | GABBR2GABBR1GSK3BCYP3A4CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2013023511-A1 | TRIAZOLOPYRIMIDINE DERIVATIVE AND PREPARATION METHOD AND USE THEREOF | 上海恒瑞医药有限公司 (CN) | 2013-02-21 | — | — | WO | disclosed |
| CN-102924457-A | Triazolopyrimidine derivatives, preparation method and uses thereof | SHANGHAI HENGRUI PHARM CO LTD | 2013-02-13 | — | — | CN | disclosed |