Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCAT2 | O15382 | 2/20 | 0.57 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.47 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.47 |
| ▸ | HNF4A | P41235 | 1/20 | 0.46 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.46 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.46 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.46 |
| ▸ | IKBKB | O14920 | 5/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.40 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.40 |
| ▸ | CDK4 | P11802 | 1/20 | 0.40 |
| ▸ | CCND1 | P24385 | 1/20 | 0.40 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.40 |
| ▸ | CDK2 | P24941 | 1/20 | 0.40 |
| ▸ | CHUK | O15111 | 1/20 | 0.40 |
| ▸ | IKBKE | Q14164 | 1/20 | 0.40 |
| ▸ | PKMYT1 | Q99640 | 1/20 | 0.40 |
| ▸ | CHEK1 | O14757 | 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 | |
|---|---|---|---|---|
| SCHEMBL2025737 | 0.85 | BCAT2 (0.71) | BCAT2KEAP1NFE2L2HNF4AIKBKB | |
| Hydrochloric Acid SCHEMBL27966297 | 0.84 | BCAT2 (0.69) | BCAT2KEAP1NFE2L2HNF4AIKBKB | |
| SCHEMBL4481912 | 0.82 | BCAT2 (0.61) | BCAT2KEAP1NFE2L2CYP2E1CYP2A6 | |
| SCHEMBL8812799 | 0.82 | GRM5 (0.47) | BCAT2KEAP1NFE2L2IKBKBCCNE2 | |
| Hydrochloric Acid SCHEMBL27721971 | 0.81 | BCAT2 (0.59) | BCAT2KEAP1NFE2L2CYP2E1CYP2A6 | |
| Phosphoric Acid SCHEMBL3689008 | 0.80 | BCAT2 (0.62) | BCAT2KEAP1NFE2L2HNF4AIKBKB | |
| SCHEMBL28309328 | 0.78 | BCAT2 (0.43) | BCAT2KEAP1NFE2L2CYP2E1CYP2A6 | |
| SCHEMBL27510657 | 0.77 | CYP2A6 (0.59) | HNF4ACYP2E1CYP2A6CYP2B6PDK2 | |
| SCHEMBL30370009 | 0.76 | BCAT2 (0.57) | BCAT2KEAP1NFE2L2HNF4AIKBKB | |
| Thiophene SCHEMBL28606237 | 0.76 | BCAT2 (0.79) | BCAT2KEAP1NFE2L2HNF4AIKBKB |
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 |
|---|---|---|---|---|---|---|---|
| EP-0804420-A1 | TRICYCLIC BENZAZEPINE VASOPRESSIN ANTAGONISTS | American Cyanamid Company (US) | 1997-11-05 | — | — | EP | disclosed |