Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.42 |
| ▸ | CA2 | P00918 | 2/20 | 0.42 |
| ▸ | CA7 | P43166 | 2/20 | 0.42 |
| ▸ | CA9 | Q16790 | 2/20 | 0.42 |
| ▸ | LRRK2 | Q5S007 | 3/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | PARP1 | P09874 | 1/20 | 0.38 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.38 |
| ▸ | PGR | P06401 | 1/20 | 0.37 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.37 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.37 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | CA4 | P22748 | 1/20 | 0.37 |
| ▸ | SRD5A1 | P18405 | 1/20 | 0.36 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.36 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.36 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL11534209 | 0.80 | ALDH1A1 (0.47) | CA1CA2CA7CA9LRRK2 | |
| SCHEMBL11539506 | 0.75 | ALDH1A1 (0.57) | CA1CA2CA7CA9LRRK2 | |
| SCHEMBL11536434 | 0.73 | MAOA (0.47) | LRRK2ALDH1A1 | |
| SCHEMBL14992095 | 0.71 | PARP1 (0.45) | CA1CA2CA7CA9LRRK2 | |
| 5-Fluoroisatin SCHEMBL183575 | 0.69 | MAOB (0.61) | CA1CA2CA9LRRK2CA12 | |
| SCHEMBL22116356 | 0.68 | PARP1 (0.36) | CA1CA2CA7CA9LRRK2 | |
| 5-Fluoroisatin SCHEMBL28512324 | 0.68 | MAOB (0.59) | CA1CA2CA9LRRK2CA12 | |
| SCHEMBL14991526 | 0.68 | AKR1A1 (0.47) | KMT2AMAPTPARP1PARP10AKR1A1 | |
| SCHEMBL28928513 | 0.67 | PARP1 (0.38) | CA1CA2CA7CA9LRRK2 | |
| 5-Fluoroisatin SCHEMBL29155951 | 0.67 | MAOB (0.58) | CA1CA2CA9LRRK2CA12 |
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-117229281-A | Di-parallel ring derivative regulator, preparation method and application thereof | 上海翰森生物医药科技有限公司 | 2023-12-15 | — | — | CN | disclosed |