Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 9/20 | 0.51 |
| ▸ | CA12 | O43570 | 8/20 | 0.51 |
| ▸ | CA1 | P00915 | 8/20 | 0.51 |
| ▸ | CA9 | Q16790 | 7/20 | 0.51 |
| ▸ | MAPT | P10636 | 4/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.45 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.43 |
| ▸ | PNMT | P11086 | 1/20 | 0.43 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.43 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | IDO1 | P14902 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | CA7 | P43166 | 2/20 | 0.38 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.38 |
| ▸ | CA3 | P07451 | 1/20 | 0.38 |
| ▸ | CA4 | P22748 | 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 | |
|---|---|---|---|---|
| SCHEMBL29861126 | 0.81 | CA2 (0.53) | CA2CA12CA1CA9MAPT | |
| SCHEMBL3899701 | 0.76 | CTSL (0.49) | CA2CA1MAPTALDH1A1ADRA2A | |
| SCHEMBL14149593 | 0.76 | CA2 (0.46) | CA2CA12CA1CA9MAPT | |
| SCHEMBL28939479 | 0.76 | CA12 (0.48) | CA2CA12CA1CA9MAPT | |
| SCHEMBL768764 | 0.75 | ALDH1A1 (0.54) | MAPTALDH1A1ADRA2APNMT | |
| SCHEMBL12920004 | 0.75 | ALDH1A1 (0.46) | MAPTALDH1A1ADRA2APNMTTDP1 | |
| SCHEMBL21839094 | 0.71 | PNMT (0.51) | CA2CA12CA1CA9MAPT | |
| SCHEMBL21839093 | 0.71 | PNMT (0.51) | CA2CA12CA1CA9MAPT | |
| SCHEMBL21839108 | 0.71 | CA2 (0.46) | CA2CA12CA1CA9MAPT | |
| SCHEMBL21839142 | 0.71 | CA2 (0.46) | CA2CA12CA1CA9MAPT |
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-116589459-A | Apoptosis inducer | 重庆复创医药研究有限公司 | 2023-08-15 | — | — | CN | disclosed |
| CN-110546151-B | Apoptosis inducer | 重庆复创医药研究有限公司 | 2023-04-28 | — | — | CN | disclosed |