Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 9/20 | 0.55 |
| ▸ | CA2 | P00918 | 9/20 | 0.55 |
| ▸ | CA12 | O43570 | 2/20 | 0.55 |
| ▸ | CA9 | Q16790 | 2/20 | 0.55 |
| ▸ | BCL2L1 | Q07817 | 5/20 | 0.48 |
| ▸ | MCL1 | Q07820 | 5/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | MMP2 | P08253 | 2/20 | 0.47 |
| ▸ | MMP9 | P14780 | 2/20 | 0.47 |
| ▸ | STS | P08842 | 1/20 | 0.47 |
| ▸ | ACHE | P22303 | 3/20 | 0.46 |
| ▸ | CASP1 | P29466 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL3829119 | 0.89 | CA1 (0.57) | CA1CA2CA12CA9BCL2L1 | |
| SCHEMBL11862063 | 0.87 | CA1 (0.65) | CA1CA2CA12CA9ALDH1A1 | |
| SCHEMBL3819564 | 0.85 | CA1 (0.53) | CA1CA2CA12CA9BCL2L1 | |
| SCHEMBL9177535 | 0.83 | CA1 (0.63) | CA1CA2CA12CA9 | |
| SCHEMBL3821884 | 0.81 | CA1 (0.57) | CA1CA2CA12CA9ALDH1A1 | |
| SCHEMBL20143947 | 0.80 | BCL2L1 (0.59) | CA1CA2CA12CA9BCL2L1 | |
| SCHEMBL30278496 | 0.80 | CA1 (0.57) | CA1CA2CA12CA9ALDH1A1 | |
| SCHEMBL10366198 | 0.77 | POLB (0.64) | ALDH1A1 | |
| SCHEMBL408924 | 0.76 | CA1 (0.67) | CA1CA2CA12CA9ALDH1A1 | |
| SCHEMBL6558145 | 0.76 | HDAC1 (0.62) | ALDH1A1 |
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-100349895-C | Pyrrolopyridazine derivatives | ASTELLAS PHARMA INC (JP) | 2007-11-21 | — | — | CN | disclosed |
| CN-1759117-A | Pyrrolopyridazine derivatives | ASTELLAS PHARMA INC (JP) | 2006-04-12 | — | — | CN | disclosed |