Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 10/20 | 0.48 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.46 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.45 |
| ▸ | CYP3A5 | P20815 | 2/20 | 0.45 |
| ▸ | KDM1A | O60341 | 1/20 | 0.44 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL3919252 | 1.00 | KIF11 (0.48) | KIF11CYP11B1CYP11B2CYP3A4CYP3A5 | |
| Alcohol SCHEMBL28291079 | 0.88 | KIF11 (0.49) | KIF11CYP11B1CYP11B2CYP3A4CYP3A5 | |
| SCHEMBL28707287 | 0.84 | CYP3A4 (0.46) | KIF11CYP11B1CYP11B2CYP3A4CYP3A5 | |
| SCHEMBL657298 | 0.83 | SLC6A4 (0.46) | CYP3A4HSD11B1TSHRMAPK1TDP1 | |
| SCHEMBL31303886 | 0.83 | SLC6A4 (0.46) | CYP3A4HSD11B1TSHRMAPK1TDP1 | |
| SCHEMBL5354832 | 0.82 | CYP3A4 (0.40) | KIF11CYP11B1CYP11B2CYP3A4CYP3A5 | |
| SCHEMBL8156993 | 0.81 | CYP3A4 (0.60) | CYP3A4CYP3A5HSD11B1TSHRMAPK1 | |
| SCHEMBL3789153 | 0.80 | CYP3A4 (0.52) | CYP3A4TSHRMAPK1TDP1CYP1A2 | |
| SCHEMBL1690351 | 0.79 | HDAC3 (0.42) | CYP3A4CYP3A5HSD11B1TSHRMAPK1 | |
| SCHEMBL29403188 | 0.78 | TSHR (0.62) | CYP3A4HSD11B1TSHRMAPK1TDP1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-118103374-A | Heterocyclic compounds | 豪夫迈·罗氏有限公司 | 2024-05-28 | — | — | CN | disclosed |