Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | CPB1 | P15086 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | NAAA | Q02083 | 5/20 | 0.42 |
| ▸ | CTSL | P07711 | 1/20 | 0.41 |
| ▸ | CTSB | P07858 | 1/20 | 0.41 |
| ▸ | CTSK | P43235 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL14709185 | 0.90 | ALDH1A1 (0.42) | ALDH1A1GAACPB1TSHRNAAA | |
| SCHEMBL18830538 | 0.79 | ALDH1A1 (0.44) | ALDH1A1GAACPB1TSHRNAAA | |
| SCHEMBL18819664 | 0.79 | ALDH1A1 (0.44) | ALDH1A1GAACPB1TSHRNAAA | |
| SCHEMBL10249662 | 0.79 | CPB1 (0.50) | ALDH1A1GAACPB1TSHRNAAA | |
| SCHEMBL12321138 | 0.79 | CPB1 (0.50) | ALDH1A1GAACPB1TSHRNAAA | |
| SCHEMBL18560233 | 0.79 | CPB1 (0.50) | ALDH1A1GAACPB1TSHRNAAA | |
| SCHEMBL13974660 | 0.79 | CPB1 (0.50) | ALDH1A1GAACPB1TSHRNAAA | |
| SCHEMBL16378881 | 0.79 | CPB1 (0.50) | ALDH1A1GAACPB1TSHRNAAA | |
| SCHEMBL14709135 | 0.79 | CPB1 (0.50) | ALDH1A1GAACPB1TSHRNAAA | |
| SCHEMBL14709013 | 0.79 | CPB1 (0.50) | ALDH1A1GAACPB1TSHRNAAA |
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 |