Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 5/20 | 0.34 |
| ▸ | CA1 | P00915 | 5/20 | 0.34 |
| ▸ | CA2 | P00918 | 5/20 | 0.34 |
| ▸ | CA9 | Q16790 | 5/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.34 |
| ▸ | TYMP | P19971 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL5313983 | 1.00 | KMT2A (0.42) | KMT2ALMNATHRBCYP2C19CA12 | |
| SCHEMBL5312576 | 1.00 | KMT2A (0.42) | KMT2ALMNATHRBCYP2C19CA12 | |
| SCHEMBL8597227 | 1.00 | KMT2A (0.42) | KMT2ALMNATHRBCYP2C19CA12 | |
| SCHEMBL5313975 | 1.00 | KMT2A (0.42) | KMT2ALMNATHRBCYP2C19CA12 | |
| SCHEMBL8597217 | 1.00 | KMT2A (0.42) | KMT2ALMNATHRBCYP2C19CA12 | |
| SCHEMBL8597742 | 0.93 | KMT2A (0.38) | KMT2ALMNATHRBCYP2C19CA12 | |
| SCHEMBL8597337 | 0.93 | KMT2A (0.38) | KMT2ALMNATHRBCYP2C19CA12 | |
| SCHEMBL30309739 | 0.90 | KMT2A (0.41) | KMT2ALMNATHRBCYP2C19CA12 | |
| SCHEMBL5312471 | 0.90 | KMT2A (0.36) | KMT2ALMNATHRBCYP2C19CA12 | |
| SCHEMBL5312479 | 0.90 | KMT2A (0.36) | KMT2ALMNATHRBCYP2C19CA12 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0629617-B2 | Heteroatom-bearing ligands and metal complexes thereof | BRACCO INT BV (NL) | 2007-09-26 | — | — | EP | claimed |
| EP-0629617-B1 | Heteroatom-bearing ligands and metal complexes thereof | BRACCO INT BV (NL) | 1998-04-29 | — | — | EP | claimed |