Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 2/20 | 0.38 |
| ▸ | CA1 | P00915 | 2/20 | 0.38 |
| ▸ | CA2 | P00918 | 2/20 | 0.38 |
| ▸ | CA9 | Q16790 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | HTT | P42858 | 1/20 | 0.30 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL2869141 | 0.74 | CA12 (0.39) | CA12CA1CA2CA9TSHR | |
| Cyclohexane SCHEMBL9279245 | 0.69 | CA12 (0.35) | CA12CA1CA2CA9TSHR | |
| SCHEMBL6151834 | 0.69 | CA12 (0.40) | CA12CA1CA2CA9TSHR | |
| SCHEMBL1828475 | 0.67 | — | — | |
| SCHEMBL826905 | 0.67 | TSHR (0.46) | CA12CA1CA2CA9TSHR | |
| SCHEMBL6031323 | 0.65 | TSHR (0.42) | CA12CA1CA2CA9TSHR | |
| SCHEMBL29066663 | 0.65 | — | — | |
| SCHEMBL23160716 | 0.65 | TSHR (0.32) | CA12CA1CA2CA9TSHR | |
| SCHEMBL4306399 | 0.65 | TSHR (0.43) | CA12CA1CA2CA9TSHR | |
| Ammonia Solution, Strong SCHEMBL28258319 | 0.65 | TSHR (0.43) | CA12CA1CA2CA9TSHR |
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-2020132269-A1 | SUBSTITUTED PYRAZOLOPYRIMIDINES AND SUBSTITUTED PURINES AND THEIR USE AS UBIQUITIN-SPECIFIC-PROCESSING PROTEASE 1 (USP1) INHIBITORS | KSQ Therapeutics, Inc. (US) | 2020-06-25 | — | — | WO | disclosed |