Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 5/20 | 0.47 |
| ▸ | CA2 | P00918 | 5/20 | 0.47 |
| ▸ | CA12 | O43570 | 4/20 | 0.47 |
| ▸ | CA9 | Q16790 | 4/20 | 0.47 |
| ▸ | CA14 | Q9ULX7 | 4/20 | 0.47 |
| ▸ | CA7 | P43166 | 2/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | XDH | P47989 | 1/20 | 0.43 |
| ▸ | FBP1 | P09467 | 1/20 | 0.42 |
| ▸ | STS | P08842 | 1/20 | 0.42 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.42 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL1615851 | 1.00 | CA1 (0.47) | CA1CA2CA12CA9CA14 | |
| SCHEMBL8875737 | 0.89 | MAPK1 (0.47) | CA1CA2CA12CA9CA14 | |
| SCHEMBL17544277 | 0.86 | PLK1 (0.42) | CA1CA2CA12CA9CA14 | |
| SCHEMBL26984564 | 0.82 | ALDH1A1 (0.42) | CA1CA2CA12CA9CA14 | |
| SCHEMBL30830169 | 0.82 | ALDH1A1 (0.42) | CA1CA2CA12CA9CA14 | |
| SCHEMBL2255243 | 0.81 | TDP1 (0.47) | TDP1TSHRMAPTALDH1A1POLB | |
| SCHEMBL2944972 | 0.81 | CA1 (0.47) | CA1CA2CA12CA9CA14 | |
| SCHEMBL29877642 | 0.81 | TDP1 (0.47) | TDP1TSHRMAPTALDH1A1POLB | |
| SCHEMBL2385010 | 0.81 | TDP1 (0.52) | CA1CA2CA12CA9CA14 | |
| SCHEMBL16217150 | 0.80 | CA1 (0.47) | CA1CA2CA12CA9CA14 |
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-114302886-B | Triazolopyridazine derivative, preparation method, pharmaceutical composition and application thereof | 上海赛默罗生物科技有限公司 | 2024-03-22 | — | — | CN | disclosed |
| CN-114302886-A | Triazolopyridazine derivative, preparation method, pharmaceutical composition and application thereof | 上海赛默罗生物科技有限公司 | 2022-04-08 | — | — | CN | disclosed |