Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 11/20 | 0.37 |
| ▸ | CA2 | P00918 | 11/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.33 |
| ▸ | RECQL | P46063 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL20188850 | 0.78 | ALDH1A1 (0.42) | CA1CA2ALDH1A1EGLN1 | |
| SCHEMBL8911606 | 0.74 | CA1 (0.34) | CA1CA2TSHR | |
| SCHEMBL15393662 | 0.70 | CA1 (0.48) | CA1CA2TSHRALDH1A1 | |
| SCHEMBL8912432 | 0.69 | CA1 (0.33) | CA1CA2 | |
| SCHEMBL13336065 | 0.68 | CA1 (0.45) | CA1CA2ALDH1A1EGLN1 | |
| SCHEMBL2303378 | 0.68 | TSHR (0.52) | CA1CA2TSHRALDH1A1EGLN1 | |
| SCHEMBL2361759 | 0.68 | TSHR (0.50) | CA2TSHRALDH1A1RECQL | |
| SCHEMBL8991694 | 0.68 | ALDH1A1 (0.54) | TSHRALDH1A1 | |
| SCHEMBL27045412 | 0.68 | CA1 (0.43) | CA1CA2ALDH1A1EGLN1 | |
| SCHEMBL18160753 | 0.67 | LMNA (0.41) | CA1CA2TSHREGLN1 |
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-5679810-A | AMIDE OR ESTER LINKAGES; COMPLEXES PARAMAGNETIC METAL IONS; DIAGNOSTIC IMAGING | SALUTAR, INC. (US) | 1997-10-21 | — | — | US | disclosed |