Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 2/20 | 0.64 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.50 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.50 |
| ▸ | KIF11 | P52732 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | TPMT | P51580 | 1/20 | 0.41 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.39 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | CNR1 | P21554 | 1/20 | 0.38 |
| ▸ | CNR2 | P34972 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | KCNJ11 | Q14654 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9145687 | 1.00 | CYP2C9 (0.64) | CYP2C9CYP2D6HIF1AKIF11CYP1A2 | |
| Benzylic Acid SCHEMBL7066 | 0.87 | CYP2C9 (0.74) | CYP2C9CYP2D6HIF1ACYP1A2KEAP1 | |
| Benzylic Acid SCHEMBL1680669 | 0.84 | CYP2C9 (0.71) | CYP2C9CYP2D6HIF1ACYP1A2KEAP1 | |
| Benzylic Acid SCHEMBL9181980 | 0.84 | CYP2C9 (0.71) | CYP2C9CYP2D6HIF1ACYP1A2KEAP1 | |
| Benzylic Acid SCHEMBL1681667 | 0.84 | CYP2C9 (0.71) | CYP2C9CYP2D6HIF1ACYP1A2KEAP1 | |
| Benzylic Acid SCHEMBL5705762 | 0.84 | CYP2C9 (0.71) | CYP2C9CYP2D6HIF1ACYP1A2KEAP1 | |
| Benzylic Acid SCHEMBL11049826 | 0.84 | CYP2C9 (0.71) | CYP2C9CYP2D6HIF1ACYP1A2KEAP1 | |
| Benzylic Acid SCHEMBL9568239 | 0.84 | CYP2C9 (0.71) | CYP2C9CYP2D6HIF1ACYP1A2KEAP1 | |
| Benzylic Acid SCHEMBL20957595 | 0.84 | CYP2C9 (0.71) | CYP2C9CYP2D6HIF1ACYP1A2KEAP1 | |
| Benzylic Acid SCHEMBL2810363 | 0.84 | CYP2C9 (0.71) | CYP2C9CYP2D6HIF1ACYP1A2KEAP1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5387409-A | Diagnostic imaging agents, e.g. hypoxic tissue; radiotherapy; kits | BRACCO INTERNATIONAL B.V. (NL) | 1995-02-07 | — | — | US | disclosed |
| EP-0441491-A1 | Boronic acid adducts of rhenium dioxime and technetium-99M dioxime complexes containing a biochemically active group | BRACCO INTERNATIONAL B.V. (NL) | 1991-08-14 | — | — | EP | disclosed |