Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 2/20 | 0.64 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.55 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | KCNN4 | O15554 | 3/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.39 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.39 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.39 |
| ▸ | KEAP1 | Q14145 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9142699 | 1.00 | CYP2C9 (0.64) | CYP2C9CYP2D6HIF1ACYP1A2KMT2A | |
| Benzylic Acid SCHEMBL21434289 | 0.87 | CYP2C9 (0.68) | CYP2C9CYP2D6HIF1ACYP1A2KMT2A | |
| Benzylic Acid SCHEMBL7066 | 0.87 | CYP2C9 (0.74) | CYP2C9CYP2D6HIF1ACYP1A2KMT2A | |
| SCHEMBL4801886 | 0.86 | KMT2A (0.48) | CYP2C9CYP2D6HIF1AKMT2AMAPT | |
| Benzylic Acid SCHEMBL633587 | 0.84 | CYP2C9 (0.71) | CYP2C9CYP2D6HIF1ACYP1A2KMT2A | |
| Benzylic Acid SCHEMBL20957595 | 0.84 | CYP2C9 (0.71) | CYP2C9CYP2D6HIF1ACYP1A2KMT2A | |
| Benzylic Acid SCHEMBL633586 | 0.84 | CYP2C9 (0.71) | CYP2C9CYP2D6HIF1ACYP1A2KMT2A | |
| Benzylic Acid SCHEMBL2810363 | 0.84 | CYP2C9 (0.71) | CYP2C9CYP2D6HIF1ACYP1A2KMT2A | |
| Benzylic Acid SCHEMBL1681667 | 0.84 | CYP2C9 (0.71) | CYP2C9CYP2D6HIF1ACYP1A2KMT2A | |
| Benzylic Acid SCHEMBL868225 | 0.84 | CYP2C9 (0.71) | CYP2C9CYP2D6HIF1ACYP1A2KMT2A |
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 |