Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | AR | P10275 | 13/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | CSNK1D | P48730 | 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 | |
|---|---|---|---|---|
| SCHEMBL29956599 | 0.78 | AR (0.46) | AR | |
| Hydrochloric Acid SCHEMBL10834372 | 0.77 | RAB9A (0.37) | CYP1A2CYP2D6CYP2C19RAB9AAR | |
| SCHEMBL12378214 | 0.76 | GAA (0.55) | ARKDM4E | |
| SCHEMBL29951072 | 0.76 | KDM1A (0.42) | AR | |
| SCHEMBL9264759 | 0.76 | GAA (0.55) | ARKDM4E | |
| SCHEMBL7119172 | 0.73 | P2RX7 (0.34) | AR | |
| SCHEMBL3789153 | 0.73 | CYP3A4 (0.52) | CYP1A2CYP2D6CYP2C19RAB9AAR | |
| SCHEMBL29954160 | 0.72 | CCR2 (0.34) | — | |
| SCHEMBL12125524 | 0.72 | AR (0.39) | AR | |
| SCHEMBL12552106 | 0.72 | TP53 (0.48) | CYP1A2CYP2C19HTT |
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 |