Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 4/20 | 0.47 |
| ▸ | CA2 | P00918 | 4/20 | 0.47 |
| ▸ | CA12 | O43570 | 3/20 | 0.47 |
| ▸ | CA7 | P43166 | 3/20 | 0.47 |
| ▸ | CA9 | Q16790 | 3/20 | 0.47 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | TP53 | P04637 | 2/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | CKS1B | P61024 | 1/20 | 0.46 |
| ▸ | SKP2 | Q13309 | 1/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | HKDC1 | Q2TB90 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL27720296 | 0.74 | CA1 (0.50) | CA1CA2ALDH1A1TP53HPGD | |
| SCHEMBL23387519 | 0.74 | HDAC8 (0.48) | ALDH1A1CYP1A2CYP3A4ESR1ESR2 | |
| SCHEMBL15105038 | 0.74 | HDAC8 (0.48) | ALDH1A1CYP1A2CYP3A4ESR1ESR2 | |
| SCHEMBL30036796 | 0.74 | HDAC8 (0.48) | ALDH1A1CYP1A2CYP3A4ESR1ESR2 | |
| SCHEMBL7633728 | 0.74 | HDAC8 (0.48) | ALDH1A1CYP1A2CYP3A4ESR1ESR2 | |
| SCHEMBL480297 | 0.73 | ALDH1A1 (0.50) | CA1CA2CA12CA7CA9 | |
| SCHEMBL15778501 | 0.73 | ALDH1A1 (0.53) | CA1CA2CA12CA7CA9 | |
| SCHEMBL10656363 | 0.72 | ADRB3 (0.54) | CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL8295723 | 0.71 | ALDH1A1 (0.46) | CA1CA2CA12CA7CA9 | |
| SCHEMBL12326706 | 0.71 | MAPT (0.49) | CA1CA2CA12CA7CA9 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011020615-A1 | NOVEL FXR (NR1H4 ) BINDING AND ACTIVITY MODULATING COMPOUNDS | PHENEX PHARMACEUTICALS AG (DE) | 2011-02-24 | — | — | WO | disclosed |