Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | HPRT1 | P00492 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | BACE1 | P56817 | 1/20 | 0.37 |
| ▸ | PARP1 | P09874 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | AR | P10275 | 1/20 | 0.36 |
| ▸ | PNMT | P11086 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL14973721 | 1.00 | CYP2A6 (0.41) | CYP2A6HPRT1MEN1KMT2ARXFP1 | |
| SCHEMBL30366448 | 0.85 | CYP2A6 (0.52) | CYP2A6MEN1KMT2ARXFP1ALDH1A1 | |
| SCHEMBL6562541 | 0.85 | CYP2A6 (0.52) | CYP2A6MEN1KMT2ARXFP1ALDH1A1 | |
| SCHEMBL2286583 | 0.83 | CYP2C19 (0.51) | CYP2A6HPRT1MEN1KMT2ARXFP1 | |
| SCHEMBL723041 | 0.83 | HPRT1 (0.64) | CYP2A6HPRT1MEN1KMT2ARXFP1 | |
| SCHEMBL1234095 | 0.81 | ALDH1A1 (0.50) | HPRT1ALDH1A1HIF1ACYP1B1HSD17B10 | |
| SCHEMBL1527416 | 0.80 | HPRT1 (0.67) | CYP2A6HPRT1MEN1KMT2AALDH1A1 | |
| SCHEMBL27107379 | 0.80 | HPRT1 (0.67) | CYP2A6HPRT1MEN1KMT2AALDH1A1 | |
| SCHEMBL17702481 | 0.80 | CYP2A6 (0.39) | CYP2A6HPRT1KMT2AALDH1A1HIF1A | |
| SCHEMBL29595200 | 0.79 | CYP2A6 (0.52) | CYP2A6MEN1KMT2AALDH1A1HIF1A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115521253-B | Bibiquinoline derivative compound and application thereof | 烟台显华科技集团股份有限公司 | 2023-04-07 | — | — | CN | disclosed |
| CN-115521253-A | Bibiquinoline derivative compound and application thereof | 烟台显华科技集团股份有限公司 | 2022-12-27 | — | — | CN | disclosed |