Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 8/20 | 0.50 |
| ▸ | CES2 | O00748 | 7/20 | 0.50 |
| ▸ | HDAC3 | O15379 | 4/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 4/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 4/20 | 0.40 |
| ▸ | FFAR3 | O14843 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.37 |
| ▸ | CTSD | P07339 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | FAAH | O00519 | 2/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL27477276 | 0.77 | ALDH1A1 (0.36) | CES1CES2HDAC3HDAC1HDAC2 | |
| SCHEMBL992042 | 0.77 | — | — | |
| SCHEMBL21051781 | 0.76 | CES2 (0.44) | CES1CES2HDAC3HDAC1HDAC2 | |
| SCHEMBL1970547 | 0.75 | — | — | |
| SCHEMBL28442996 | 0.74 | CES2 (0.61) | CES1CES2HDAC3HDAC1HDAC2 | |
| SCHEMBL11698486 | 0.73 | — | — | |
| SCHEMBL27902020 | 0.73 | — | — | |
| SCHEMBL9345005 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL3290645 | 0.73 | — | — | |
| SCHEMBL863941 | 0.73 | ALDH1A1 (0.35) | ALDH1A1TSHR |
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-114786674-A | Combination of an AHR inhibitor and a PD1 inhibitor antibody and use thereof in the treatment of cancer | 拜耳公司 | 2022-07-22 | — | — | CN | disclosed |