Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 5/20 | 0.67 |
| ▸ | CA1 | P00915 | 5/20 | 0.67 |
| ▸ | CA2 | P00918 | 5/20 | 0.67 |
| ▸ | CA3 | P07451 | 5/20 | 0.67 |
| ▸ | CA4 | P22748 | 5/20 | 0.67 |
| ▸ | CA6 | P23280 | 5/20 | 0.67 |
| ▸ | CA5A | P35218 | 5/20 | 0.67 |
| ▸ | CA7 | P43166 | 5/20 | 0.67 |
| ▸ | CA9 | Q16790 | 5/20 | 0.67 |
| ▸ | CA13 | Q8N1Q1 | 5/20 | 0.67 |
| ▸ | CA14 | Q9ULX7 | 5/20 | 0.67 |
| ▸ | CA5B | Q9Y2D0 | 5/20 | 0.67 |
| ▸ | CISD1 | Q9NZ45 | 9/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.43 |
| ▸ | LCK | P06239 | 1/20 | 0.42 |
| ▸ | FYN | P06241 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL8572973 | 0.87 | CA12 (0.67) | CA12CA1CA2CA3CA4 | |
| SCHEMBL11787338 | 0.86 | CA12 (0.58) | CA12CA1CA2CA3CA4 | |
| SCHEMBL11804030 | 0.81 | CA12 (0.59) | CA12CA1CA2CA3CA4 | |
| SCHEMBL18424444 | 0.80 | CA12 (1.00) | CA12CA1CA2CA3CA4 | |
| SCHEMBL19873252 | 0.80 | HSD17B10 (0.56) | CA12CA1CA2CA3CA4 | |
| SCHEMBL8575392 | 0.80 | CA12 (0.61) | CA12CA1CA2CA3CA4 | |
| SCHEMBL21352065 | 0.77 | HSD17B10 (0.50) | CA12CA1CA2CA3CA4 | |
| SCHEMBL11787311 | 0.77 | CA12 (0.67) | CA12CA1CA2CA3CA4 | |
| SCHEMBL8043521 | 0.77 | CA12 (0.49) | CA12CA1CA2CA3CA4 | |
| SCHEMBL11198069 | 0.76 | CISD1 (0.74) | CA12CA1CA2CA3CA4 |
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 |
|---|---|---|---|---|---|---|---|
| US-3991188-A | SALURETICS | BOEHRINGER MANNHEIM G.M.B.H. (DT) | 1976-11-09 | — | — | US | disclosed |