Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NCF1 | P14598 | 2/20 | 0.39 |
| ▸ | PPARG | P37231 | 3/20 | 0.38 |
| ▸ | PPARA | Q07869 | 3/20 | 0.38 |
| ▸ | ACACB | O00763 | 1/20 | 0.38 |
| ▸ | THRA | P10827 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | USP2 | O75604 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | CASP1 | P29466 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | SLCO1B3 | Q9NPD5 | 1/20 | 0.34 |
| ▸ | SLCO1B1 | Q9Y6L6 | 1/20 | 0.34 |
| ▸ | APP | P05067 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | RECQL | P46063 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL27166331 | 1.00 | NCF1 (0.39) | NCF1PPARGPPARAACACBTHRA | |
| Hydrochloric Acid SCHEMBL27166252 | 0.99 | NCF1 (0.39) | NCF1PPARGPPARAACACBTHRA | |
| Hydrochloric Acid SCHEMBL27166328 | 0.99 | NCF1 (0.39) | NCF1PPARGPPARAACACBTHRA | |
| SCHEMBL9446753 | 0.83 | NCF1 (0.43) | NCF1PPARGPPARAACACB | |
| SCHEMBL27166321 | 0.82 | ACACB (0.50) | NCF1ACACBTHRAALDH1A1MEN1 | |
| SCHEMBL27166319 | 0.82 | ACACB (0.50) | NCF1ACACBTHRAALDH1A1MEN1 | |
| SCHEMBL27166284 | 0.82 | ACACB (0.50) | NCF1ACACBTHRAALDH1A1MEN1 | |
| SCHEMBL27166249 | 0.82 | ACACB (0.50) | NCF1ACACBTHRAALDH1A1MEN1 | |
| Hydrochloric Acid SCHEMBL30804763 | 0.81 | ACACB (0.49) | NCF1ACACBTHRAALDH1A1MEN1 | |
| SCHEMBL27268878 | 0.80 | ACACB (0.51) | NCF1PPARGPPARAACACBTHRA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2024052549-A1 | NEW CONTRAST AGENTS FOR USE IN DIAGNOSTIC IMAGING | BAYER AKTIENGESELLSCHAFT (DE) | 2024-03-14 | — | — | WO | disclosed |
| WO-2024052549-A1 | NEW CONTRAST AGENTS FOR USE IN DIAGNOSTIC IMAGING | BAYER AKTIENGESELLSCHAFT (DE) | 2024-03-14 | — | — | WO | disclosed |
| EP-4335840-A1 | NEW CONTRAST AGENTS FOR USE IN DIAGNOSTIC IMAGING | Bayer Aktiengesellschaft (DE) | 2024-03-13 | — | — | EP | disclosed |