Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CPB1 | P15086 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 3/20 | 0.44 |
| ▸ | KDM1A | O60341 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.41 |
| ▸ | NAAA | Q02083 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | CASP1 | P29466 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | CTSL | P07711 | 1/20 | 0.40 |
| ▸ | CTSB | P07858 | 1/20 | 0.40 |
| ▸ | CTSK | P43235 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL18560233 | 1.00 | CPB1 (0.50) | CPB1ALDH1A1GAATSHRKDM1A | |
| SCHEMBL10249662 | 1.00 | CPB1 (0.50) | CPB1ALDH1A1GAATSHRKDM1A | |
| SCHEMBL13974660 | 1.00 | CPB1 (0.50) | CPB1ALDH1A1GAATSHRKDM1A | |
| SCHEMBL12321138 | 1.00 | CPB1 (0.50) | CPB1ALDH1A1GAATSHRKDM1A | |
| SCHEMBL16378881 | 1.00 | CPB1 (0.50) | CPB1ALDH1A1GAATSHRKDM1A | |
| SCHEMBL14709135 | 1.00 | CPB1 (0.50) | CPB1ALDH1A1GAATSHRKDM1A | |
| SCHEMBL16800333 | 0.89 | CPB1 (0.47) | CPB1ALDH1A1GAATSHRKDM1A | |
| SCHEMBL9274943 | 0.87 | CPB1 (0.52) | CPB1ALDH1A1GAATSHRKDM1A | |
| SCHEMBL9886997 | 0.86 | CPB1 (0.48) | CPB1ALDH1A1GAATSHRKDM1A | |
| SCHEMBL12036754 | 0.86 | CPB1 (0.48) | CPB1ALDH1A1GAATSHRKDM1A |
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 |
|---|---|---|---|---|---|---|---|
| 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 |