Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 5/20 | 0.59 |
| ▸ | CA12 | O43570 | 1/20 | 0.53 |
| ▸ | CA1 | P00915 | 1/20 | 0.53 |
| ▸ | CA2 | P00918 | 1/20 | 0.53 |
| ▸ | CA3 | P07451 | 1/20 | 0.53 |
| ▸ | CA4 | P22748 | 1/20 | 0.53 |
| ▸ | CA6 | P23280 | 1/20 | 0.53 |
| ▸ | CA5A | P35218 | 1/20 | 0.53 |
| ▸ | CA7 | P43166 | 1/20 | 0.53 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.53 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.53 |
| ▸ | CA9 | Q16790 | 1/20 | 0.53 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.53 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.53 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL25491992 | 1.00 | TACR1 (0.59) | TACR1CA12CA1CA2CA3 | |
| SCHEMBL30621976 | 0.88 | TACR1 (0.61) | TACR1CA12CA1CA2CA3 | |
| SCHEMBL27895749 | 0.88 | TACR1 (0.61) | TACR1CA12CA1CA2CA3 | |
| SCHEMBL28750936 | 0.88 | TACR1 (0.61) | TACR1CA12CA1CA2CA3 | |
| SCHEMBL6507631 | 0.86 | MMP9 (0.50) | TACR1ALDH1A1ABCB1MMP9REN | |
| SCHEMBL25492010 | 0.86 | ABCB1 (0.47) | TACR1ALDH1A1KMT2AABCB1ALOX15 | |
| SCHEMBL31276678 | 0.85 | ABCB1 (0.51) | TACR1ALDH1A1KMT2AABCB1ALOX15 | |
| SCHEMBL5673271 | 0.84 | TACR1 (0.53) | TACR1CA12CA1CA2CA3 | |
| SCHEMBL27895748 | 0.84 | TACR1 (0.53) | TACR1CA12CA1CA2CA3 | |
| SCHEMBL25492090 | 0.84 | MMP9 (0.48) | ALDH1A1ABCB1MMP9REN |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023083291-A1 | DERIVATIVE OF ASPARTIC ACID AND USE THEREOF IN TREATMENT OF METABOLIC DISEASES SUCH AS HEPATIC FIBROSIS AND NON-ALCOHOLIC HEPATITIS | 深圳利沃生物医药科技有限公司 | 2023-05-19 | — | — | WO | disclosed |