Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | SLC22A12 | Q96S37 | 4/20 | 0.41 |
| ▸ | BLM | P54132 | 1/20 | 0.41 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.40 |
| ▸ | AR | P10275 | 2/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL19708081 | 0.77 | CYP1A2 (0.57) | CYP1A2ALDH1A1LMNAHTT | |
| SCHEMBL16722682 | 0.76 | IDO1 (0.60) | IDO1S1PR3ALDH1A1LMNAGAA | |
| SCHEMBL11033493 | 0.76 | EPHX1 (0.55) | CYP1A2LMNAGAATRPV1HTT | |
| SCHEMBL27237045 | 0.75 | AR (0.40) | IDO1S1PR3ALDH1A1LMNAGAA | |
| SCHEMBL6989644 | 0.75 | ALDH1A1 (0.51) | CYP1A2ALDH1A1LMNAL3MBTL1USP2 | |
| SCHEMBL307278 | 0.75 | IDO1 (0.62) | IDO1ALDH1A1LMNAGAASLC22A12 | |
| SCHEMBL1273806 | 0.75 | CYP1A2 (0.62) | CYP1A2TRPV1USP2HTTSMN1; SMN2 | |
| SCHEMBL18677445 | 0.74 | IDO1 (0.51) | IDO1ALDH1A1LMNAGAASLC22A12 | |
| SCHEMBL6991463 | 0.74 | TSHR (0.51) | CYP1A2ALDH1A1LMNAL3MBTL1USP2 | |
| SCHEMBL19707310 | 0.74 | CYP1A2 (0.54) | CYP1A2ALDH1A1LMNAHTT |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020244460-A1 | HETEROAROMATIC ACETAMIDE DERIVATIVE, AND PREPARATION AND USE THEREOF | 杭州维坦医药科技有限公司 | 2020-12-10 | — | — | WO | disclosed |