Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 6/20 | 0.54 |
| ▸ | CA2 | P00918 | 6/20 | 0.54 |
| ▸ | CA9 | Q16790 | 5/20 | 0.54 |
| ▸ | CA12 | O43570 | 3/20 | 0.54 |
| ▸ | CA5A | P35218 | 1/20 | 0.54 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.54 |
| ▸ | CA4 | P22748 | 2/20 | 0.49 |
| ▸ | CA7 | P43166 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | APLNR | P35414 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | IDO1 | P14902 | 2/20 | 0.44 |
| ▸ | AGXT | P21549 | 2/20 | 0.44 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.44 |
| ▸ | MMP1 | P03956 | 1/20 | 0.44 |
| ▸ | MMP13 | P45452 | 1/20 | 0.44 |
| ▸ | PTPRB | P23467 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL18247349 | 0.86 | CA1 (0.54) | CA1CA2CA9CA12CA5A | |
| SCHEMBL21448664 | 0.84 | CA2 (0.38) | CA1CA2CA9CA12CA5A | |
| SCHEMBL9131072 | 0.79 | CA2 (0.53) | CA2ALDH1A1SMN1; SMN2TAAR1 | |
| SCHEMBL25245166 | 0.78 | CA2 (0.44) | CA1CA2CA9CA12CA5A | |
| SCHEMBL28432291 | 0.78 | KMT2A (0.52) | CA1CA2CA9CA12CA5A | |
| Sulfuric Acid SCHEMBL28679089 | 0.77 | PTPRB (0.49) | CA1CA2CA9CA12CA5A | |
| SCHEMBL5145167 | 0.77 | SLC6A2 (0.54) | CA1CA2CA9CA12CA5A | |
| SCHEMBL19285464 | 0.77 | CA1 (0.49) | CA1CA2CA9CA12CA5A | |
| SCHEMBL9085340 | 0.76 | CA2 (0.56) | CA1CA2CA9CA12CA5A | |
| SCHEMBL183751 | 0.75 | SLC6A2 (0.57) | CA1CA2CA9CA12CA14 |
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-108137545-B | Triazole agonists of the APJ receptor | 美国安进公司 | 2020-09-22 | — | — | CN | disclosed |