Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDO2 | P48775 | 1/20 | 0.46 |
| ▸ | DHFR | P00374 | 1/20 | 0.45 |
| ▸ | ADORA2A | P29274 | 5/20 | 0.42 |
| ▸ | ADORA1 | P30542 | 5/20 | 0.42 |
| ▸ | BACE1 | P56817 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.41 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.41 |
| ▸ | IKBKE | Q14164 | 1/20 | 0.41 |
| ▸ | JAK2 | O60674 | 1/20 | 0.41 |
| ▸ | MAP4K4 | O95819 | 3/20 | 0.40 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.39 |
| ▸ | RELA | Q04206 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL29071607 | 0.79 | RAB9A (0.47) | ALDH1A1NPC1TP53TSHRRAB9A | |
| SCHEMBL29071722 | 0.79 | KDM4E (0.47) | ADORA2AADORA1ADORA2BTAAR1MAP4K4 | |
| SCHEMBL29071715 | 0.79 | RAB9A (0.47) | ADORA1ALDH1A1MAP4K4NPC1TP53 | |
| SCHEMBL29071719 | 0.77 | NPC1 (0.41) | TDO2ADORA2AADORA1BACE1ALDH1A1 | |
| SCHEMBL29071713 | 0.75 | TDO2 (0.50) | TDO2ADORA2AADORA1BACE1ALDH1A1 | |
| SCHEMBL817554 | 0.68 | ALOX5 (0.65) | BACE1ALDH1A1TAAR1JAK2NOTUM | |
| SCHEMBL31222672 | 0.68 | ALOX5 (0.65) | BACE1ALDH1A1TAAR1JAK2NOTUM | |
| SCHEMBL5322145 | 0.68 | MAP4K4 (0.66) | TDO2DHFRADORA2AADORA1BACE1 | |
| Hydrochloric Acid SCHEMBL31070804 | 0.66 | ALOX5 (0.62) | BACE1ALDH1A1TAAR1NOTUMNPC1 | |
| SCHEMBL29629014 | 0.66 | ALOX5 (0.62) | BACE1ALDH1A1TAAR1JAK2NOTUM |
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 |
|---|---|---|---|---|---|---|---|
| CN-116535356-A | 3-amino-5-phenyl-pyrazole derivative tubulin inhibitor and preparation and medical application thereof | 中国药科大学 | 2023-08-04 | — | — | CN | disclosed |