Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 5/20 | 0.46 |
| ▸ | CA2 | P00918 | 5/20 | 0.46 |
| ▸ | CA9 | Q16790 | 5/20 | 0.46 |
| ▸ | CA12 | O43570 | 4/20 | 0.46 |
| ▸ | CA3 | P07451 | 4/20 | 0.46 |
| ▸ | CA6 | P23280 | 4/20 | 0.46 |
| ▸ | CA7 | P43166 | 4/20 | 0.46 |
| ▸ | CA14 | Q9ULX7 | 4/20 | 0.46 |
| ▸ | CA5B | Q9Y2D0 | 4/20 | 0.46 |
| ▸ | CA5A | P35218 | 3/20 | 0.46 |
| ▸ | CA4 | P22748 | 3/20 | 0.46 |
| ▸ | CA13 | Q8N1Q1 | 3/20 | 0.46 |
| ▸ | CISD1 | Q9NZ45 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | CASP1 | P29466 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL9436768 | 0.77 | CA12 (0.45) | CA1CA2CA9CA12CA3 | |
| SCHEMBL10913921 | 0.77 | CA1 (0.45) | CA1CA2CA9CA12CA3 | |
| SCHEMBL18980394 | 0.77 | ALDH1A1 (0.48) | LMNAALDH1A1TSHRTP53CASP1 | |
| SCHEMBL8629914 | 0.75 | CA12 (0.42) | CA1CA2CA9CA12CA3 | |
| SCHEMBL11883846 | 0.75 | CA2 (0.50) | CA1CA2CA9CA12CA3 | |
| SCHEMBL671326 | 0.75 | TSHR (0.52) | LMNAALDH1A1TSHRTP53CASP1 | |
| SCHEMBL11855233 | 0.73 | ALDH1A1 (0.55) | CA1CA2CA9CA12CA3 | |
| SCHEMBL10316048 | 0.73 | ALDH1A1 (0.49) | ALDH1A1TSHRTP53CASP1SMN1; SMN2 | |
| SCHEMBL11371039 | 0.72 | ALOX15 (0.57) | CA1CA2CA9CA12CA3 | |
| SCHEMBL670962 | 0.72 | ALDH1A1 (0.44) | ALDH1A1TSHRTP53CASP1SMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0121830-A2 | Substituted dipeptides as antihypertensives | USV PHARMACEUTICAL CORPORATION (US) | 1984-10-17 | — | — | EP | disclosed |