Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 14/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 11/20 | 0.55 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.51 |
| ▸ | TNF | P01375 | 1/20 | 0.50 |
| ▸ | LCK | P06239 | 1/20 | 0.48 |
| ▸ | BTK | Q06187 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.45 |
| ▸ | KDR | P35968 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL21034043 | 0.86 | TNF (0.50) | CYP17A1CYP1A2SLC22A12TNFALDH1A1 | |
| SCHEMBL9612927 | 0.82 | DHODH (0.50) | CYP17A1CYP1A2SLC22A12TNFALDH1A1 | |
| SCHEMBL12811651 | 0.81 | CYP1A2 (0.51) | CYP17A1CYP1A2ALDH1A1 | |
| SCHEMBL9612899 | 0.80 | CYP17A1 (0.47) | CYP17A1CYP1A2SLC22A12TNFALDH1A1 | |
| SCHEMBL1102975 | 0.79 | TNF (0.47) | CYP17A1CYP1A2SLC22A12TNFLCK | |
| SCHEMBL2996863 | 0.78 | CYP2A6 (0.65) | CYP1A2ALDH1A1CYP2A6 | |
| SCHEMBL3421743 | 0.78 | TDO2 (0.49) | CYP17A1CYP1A2CYP2A6 | |
| SCHEMBL29988790 | 0.78 | TDO2 (0.49) | CYP17A1CYP1A2CYP2A6 | |
| SCHEMBL21128380 | 0.78 | CYP17A1 (0.50) | CYP17A1CYP1A2LCKBTK | |
| SCHEMBL18174671 | 0.78 | TNF (0.47) | CYP17A1CYP1A2TNF |
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-10305041-B2 | Organic light-emitting device | SAMSUNG DISPLAY CO., LTD. (KR) | 2019-05-28 | — | — | US | disclosed |