Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 5/20 | 0.53 |
| ▸ | DRD2 | P14416 | 1/20 | 0.41 |
| ▸ | DRD4 | P21917 | 1/20 | 0.41 |
| ▸ | DRD3 | P35462 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | DHODH | Q02127 | 3/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | THRB | P10828 | 1/20 | 0.37 |
| ▸ | BLM | P54132 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9663506 | 1.00 | PARP1 (0.53) | PARP1DRD2DRD4DRD3ALDH1A1 | |
| SCHEMBL10897955 | 0.82 | PARP1 (0.49) | PARP1DRD2DRD4DRD3ALDH1A1 | |
| SCHEMBL27909761 | 0.77 | NUDT1 (0.46) | ALDH1A1MEN1KMT2ATDP1LMNA | |
| SCHEMBL20936149 | 0.75 | PARP1 (0.56) | PARP1DRD2DRD4DRD3ALDH1A1 | |
| SCHEMBL353891 | 0.75 | PARP1 (0.56) | PARP1 | |
| SCHEMBL29935873 | 0.75 | MEN1 (0.58) | PARP1DRD2DRD4DRD3ALDH1A1 | |
| SCHEMBL28610898 | 0.75 | MEN1 (0.58) | PARP1DRD2DRD4DRD3ALDH1A1 | |
| SCHEMBL29953297 | 0.75 | DHODH (0.56) | PARP1ALDH1A1CYP1A2CYP2D6DHODH | |
| Bromide SCHEMBL5318091 | 0.73 | PARP1 (0.55) | PARP1 | |
| SCHEMBL5788740 | 0.73 | PARP1 (0.54) | PARP1DRD2DRD4DRD3ALDH1A1 |
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-20220340893-A1 | BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES | NUEVOLUTION A/S (DK) | 2022-10-27 | — | — | US | disclosed |