Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.65 |
| ▸ | CA2 | P00918 | 2/20 | 0.65 |
| ▸ | HPRT1 | P00492 | 4/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.52 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.52 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.52 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | ANPEP | P15144 | 1/20 | 0.43 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL3632654 | 1.00 | CA1 (0.65) | CA1CA2HPRT1ALDH1A1CYP1B1 | |
| SCHEMBL1343465 | 0.96 | CA1 (0.69) | CA1CA2HPRT1ALDH1A1CYP1B1 | |
| SCHEMBL12310187 | 0.92 | CA1 (0.65) | CA1CA2HPRT1ALDH1A1CYP1B1 | |
| SCHEMBL12320895 | 0.92 | CA1 (0.65) | CA1CA2HPRT1ALDH1A1CYP1B1 | |
| SCHEMBL1344052 | 0.90 | CA1 (0.67) | CA1CA2HPRT1ALDH1A1CYP1B1 | |
| SCHEMBL3634628 | 0.88 | CA1 (0.53) | CA1CA2HPRT1ALDH1A1CYP1B1 | |
| SCHEMBL17273485 | 0.85 | CA1 (0.53) | CA1CA2HPRT1ALDH1A1CYP1B1 | |
| SCHEMBL28174467 | 0.85 | CA1 (0.50) | CA1CA2ALDH1A1CYP1B1HSD17B10 | |
| SCHEMBL18934329 | 0.85 | CA1 (0.53) | CA1CA2ALDH1A1CYP2A6TSHR | |
| SCHEMBL13037655 | 0.85 | CA2 (0.57) | CA1CA2ALDH1A1CYP2A6TSHR |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117015548-A | Synthetic ursolic acid derivatives and methods of use thereof | 里亚塔医药公司 | 2023-11-07 | — | — | CN | claimed |
| CN-115023431-B | Triterpene compounds, pharmaceutical compositions thereof and use thereof in the treatment of diseases mediated by member 1 of the nuclear receptor subfamily 4 | 藤济(厦门)生物医药科技有限公司 | 2024-02-02 | — | — | CN | disclosed |
| CN-117015548-A | Synthetic ursolic acid derivatives and methods of use thereof | 里亚塔医药公司 | 2023-11-07 | — | — | CN | disclosed |