Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | CTSD | P07339 | 1/20 | 0.33 |
| ▸ | KCNJ11 | Q14654 | 1/20 | 0.33 |
| ▸ | NAMPT | P43490 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL13741386 | 0.86 | KDM4C (0.41) | CA1TSHR | |
| SCHEMBL5690888 | 0.84 | CA1 (0.52) | CA1ALDH1A1P2RX7CTSDNAMPT | |
| SCHEMBL17516038 | 0.76 | CA1 (0.34) | CA1ALDH1A1P2RX7 | |
| SCHEMBL22861813 | 0.76 | CA1 (0.34) | CA1ALDH1A1P2RX7CTSD | |
| SCHEMBL14453257 | 0.76 | CA1 (0.44) | CA1ALDH1A1P2RX7CTSDNAMPT | |
| SCHEMBL20711252 | 0.76 | CA1 (0.44) | CA1ALDH1A1P2RX7CTSDNAMPT | |
| SCHEMBL8695412 | 0.75 | — | — | |
| SCHEMBL12967924 | 0.75 | — | — | |
| SCHEMBL25381981 | 0.74 | CA1 (0.43) | CA1ALDH1A1P2RX7CTSDNAMPT | |
| SCHEMBL29284706 | 0.74 | CA1 (0.43) | CA1ALDH1A1P2RX7TSHRCTSD |
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-2021222789-A1 | INHIBITORS OF ALPHA 2 BETA 1 INTEGRIN AND METHODS OF USE THEREOF | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2021-11-04 | — | — | WO | disclosed |