Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACLY | P53396 | 1/20 | 0.54 |
| ▸ | ACACB | O00763 | 1/20 | 0.52 |
| ▸ | ACACA | Q13085 | 1/20 | 0.52 |
| ▸ | PPARA | Q07869 | 9/20 | 0.41 |
| ▸ | TBXAS1 | P24557 | 4/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | TTR | P02766 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.39 |
| ▸ | PPARG | P37231 | 1/20 | 0.39 |
| ▸ | HTR2B | P41595 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | SLCO1B3 | Q9NPD5 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | CISD1 | Q9NZ45 | 1/20 | 0.39 |
| ▸ | SLCO1B1 | Q9Y6L6 | 1/20 | 0.39 |
| ▸ | GUCY1A1 | Q02108 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL874273 | 0.91 | ACLY (0.61) | ACLYACACBACACAPPARATBXAS1 | |
| SCHEMBL127297 | 0.84 | — | — | |
| SCHEMBL7222208 | 0.84 | ACLY (0.70) | ACLYACACBACACAPPARATBXAS1 | |
| SCHEMBL2784372 | 0.84 | ACLY (0.62) | ACLYACACBACACAPPARATBXAS1 | |
| SCHEMBL1836313 | 0.81 | ACLY (0.74) | ACLYACACBACACAPPARATBXAS1 | |
| SCHEMBL1832600 | 0.81 | ACLY (0.74) | ACLYACACBACACAPPARATBXAS1 | |
| SCHEMBL5528331 | 0.81 | ACLY (0.74) | ACLYACACBACACAPPARATBXAS1 | |
| SCHEMBL4190226 | 0.81 | ACLY (0.74) | ACLYACACBACACAPPARATBXAS1 | |
| SCHEMBL20474799 | 0.81 | ACLY (0.74) | ACLYACACBACACAPPARATBXAS1 | |
| SCHEMBL9177458 | 0.81 | ACLY (0.74) | ACLYACACBACACAPPARATBXAS1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6503898-B1 | Administering 4,7-dibenzyl-5,6-dihydroxy-N,N*-di(m-aminobenzyl)--1,3-diazepin-2-one or salt to treat human immunodeficiency virus infection | BRISTOL-MYERS SQUIBB PHARMA COMPANY | 2003-01-07 | — | — | US | disclosed |