Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 3/20 | 0.38 |
| ▸ | CA1 | P00915 | 3/20 | 0.38 |
| ▸ | CA2 | P00918 | 3/20 | 0.38 |
| ▸ | CA7 | P43166 | 3/20 | 0.38 |
| ▸ | CA9 | Q16790 | 3/20 | 0.38 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.38 |
| ▸ | ESR1 | P03372 | 1/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.37 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | MAOA | P21397 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | BRD4 | O60885 | 1/20 | 0.36 |
| ▸ | BRD2 | P25440 | 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 | |
|---|---|---|---|---|
| SCHEMBL352566 | 0.69 | CACNA1F (0.39) | CYP1A2TSHRCA12CA1CA2 | |
| SCHEMBL5309848 | 0.68 | KDM4E (0.45) | CYP1A2TSHRCA12CA1CA2 | |
| SCHEMBL130016 | 0.67 | CYP1A2 (0.43) | CYP1A2TSHRCA12CA1CA2 | |
| SCHEMBL6873803 | 0.66 | HPGD (0.43) | CYP1A2TSHRLMNAHPGDALDH1A1 | |
| SCHEMBL5410864 | 0.66 | TSHR (0.50) | CYP1A2TSHRCA12CA1CA2 | |
| SCHEMBL1810135 | 0.66 | CYP1A2 (0.55) | CYP1A2TSHRCA12CA1CA2 | |
| SCHEMBL1110118 | 0.66 | CYP1A2 (0.42) | CYP1A2TSHRCA12CA1CA2 | |
| SCHEMBL23991169 | 0.64 | CA12 (0.49) | CYP1A2TSHRCA12CA1CA2 | |
| SCHEMBL8920076 | 0.64 | CA12 (0.46) | CYP1A2CA12CA1CA2CA7 | |
| SCHEMBL162971 | 0.64 | TSHR (0.48) | CYP1A2TSHRCA12CA1CA2 |
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-6410533-B1 | THERAPY FOR BACTERIA INFECTIONS | GENZYME CORPORATION | 2002-06-25 | — | — | US | disclosed |