Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.60 |
| ▸ | CA2 | P00918 | 1/20 | 0.60 |
| ▸ | VDR | P11473 | 3/20 | 0.59 |
| ▸ | USP2 | O75604 | 1/20 | 0.59 |
| ▸ | ST6GAL1 | P15907 | 1/20 | 0.57 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.53 |
| ▸ | CDC25A | P30304 | 1/20 | 0.53 |
| ▸ | EPHA2 | P29317 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL23710378 | 1.00 | CA1 (0.60) | CA1CA2VDRUSP2ST6GAL1 | |
| SCHEMBL30103329 | 1.00 | CA1 (0.60) | CA1CA2VDRUSP2ST6GAL1 | |
| SCHEMBL22855365 | 0.91 | CA1 (0.65) | CA1CA2VDRUSP2ST6GAL1 | |
| SCHEMBL30103331 | 0.91 | CA1 (0.64) | CA1CA2VDRUSP2 | |
| SCHEMBL23710527 | 0.91 | CA1 (0.64) | CA1CA2VDRUSP2 | |
| SCHEMBL23710377 | 0.90 | CA1 (0.62) | CA1CA2 | |
| SCHEMBL30103325 | 0.90 | CA1 (0.62) | CA1CA2 | |
| SCHEMBL10611670 | 0.90 | CA1 (0.59) | CA1CA2VDRUSP2ST6GAL1 | |
| SCHEMBL22855347 | 0.89 | VDR (0.65) | CA1CA2VDRUSP2ST6GAL1 | |
| SCHEMBL22855078 | 0.89 | CA1 (0.61) | CA1CA2VDRUSP2ST6GAL1 |
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-2021155167-A1 | BILE ACID-GCPII INHIBITOR CONJUGATES TO TREAT INFLAMMATORY DISEASES | THE JOHNS HOPKINS UNIVERSITY (US) | 2021-08-05 | — | — | WO | disclosed |