Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCAT2 | O15382 | 2/20 | 0.51 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.41 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.41 |
| ▸ | PARP1 | P09874 | 6/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | IKBKB | O14920 | 1/20 | 0.39 |
| ▸ | CHUK | O15111 | 1/20 | 0.39 |
| ▸ | IKBKE | Q14164 | 1/20 | 0.39 |
| ▸ | PKMYT1 | Q99640 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | HNF4A | P41235 | 1/20 | 0.39 |
| ▸ | DHODH | Q02127 | 1/20 | 0.39 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.38 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.38 |
| ▸ | CHRNA3 | P32297 | 2/20 | 0.38 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.38 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.37 |
| ▸ | PARP3 | Q9Y6F1 | 1/20 | 0.37 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL27830182 | 0.89 | HNF4A (0.47) | BCAT2NPC1RAB9AALDH1A1HNF4A | |
| SCHEMBL2754380 | 0.83 | GRM5 (0.45) | BCAT2MAPK9MAPK10PARP1DHODH | |
| SCHEMBL302445 | 0.80 | MAPK9 (0.41) | MAPK9MAPK10PARP1NPC1PARP2 | |
| SCHEMBL979249 | 0.80 | MAPK9 (0.38) | BCAT2MAPK9MAPK10IKBKBCHUK | |
| SCHEMBL17910085 | 0.79 | HCRTR1 (0.52) | MAPK9MAPK10PARP1KEAP1 | |
| SCHEMBL6429867 | 0.78 | MAPK9 (0.41) | BCAT2MAPK9MAPK10PARP1NPC1 | |
| SCHEMBL15529579 | 0.77 | MAPK9 (0.47) | BCAT2MAPK9MAPK10NPC1RAB9A | |
| SCHEMBL19554755 | 0.77 | PARP1 (0.40) | MAPK9MAPK10PARP1ALDH1A1KEAP1 | |
| SCHEMBL6430863 | 0.76 | MAP3K5 (0.36) | MAP3K5 | |
| SCHEMBL13739918 | 0.76 | CYP3A4 (0.54) | BCAT2PARP1NPC1RAB9AIKBKB |
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-2021031071-A1 | AMIDE DERIVATIVE AND USE THEREOF IN MEDICINE | 广东东阳光药业有限公司 | 2021-02-25 | — | — | WO | disclosed |
| US-20050288347-A1 | Certain triazole-based compounds, compositions, and uses thereof | AGRIUS GROUP, LLC. | 2005-12-29 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20050288347-A1 | Certain triazole-based compounds, compositions, and uses thereof | ABCG2, ATP5ME, DNTT | BCAT2 1367/4885MAPK9 4057/4885MAPK10 4848/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.