Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA1 | P30542 | 1/20 | 0.46 |
| ▸ | NQO2 | P16083 | 1/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | ACVR1 | Q04771 | 2/20 | 0.43 |
| ▸ | ACVR1B | P36896 | 1/20 | 0.43 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.43 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.43 |
| ▸ | ASIC3 | Q9UHC3 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | BRD4 | O60885 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL31070495 | 0.85 | ASIC3 (0.46) | CD274ASIC3ALDH1A1CYP3A4TSHR | |
| SCHEMBL31070657 | 0.77 | CHRNB2 (0.48) | ADORA1CA12CA1CA2CA9 | |
| SCHEMBL31070521 | 0.73 | CD274 (0.63) | ADORA1CD274BRD4CYP3A4 | |
| SCHEMBL721861 | 0.73 | ACHE (0.65) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL30040451 | 0.71 | CYP3A4 (0.59) | ALDH1A1KDM4ECYP3A4TSHR | |
| SCHEMBL1705264 | 0.71 | CYP3A4 (0.59) | ALDH1A1KDM4ECYP3A4TSHR | |
| SCHEMBL17322385 | 0.71 | CA9 (0.51) | ADORA1CA12CA1CA2CA9 | |
| SCHEMBL3988961 | 0.70 | HSD17B1 (0.56) | ADORA1CA12CA1CA2CA9 | |
| Hydrochloric Acid SCHEMBL31193341 | 0.69 | CYP3A4 (0.56) | ALDH1A1KDM4ECYP3A4TSHR | |
| Hydrochloric Acid SCHEMBL9871800 | 0.69 | CYP3A4 (0.56) | ALDH1A1KDM4ECYP3A4TSHR |
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-118515600-A | Isoindoline compound and medical application thereof | 中国科学院上海药物研究所 | 2024-08-20 | — | — | CN | disclosed |