Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.46 |
| ▸ | CA9 | Q16790 | 2/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | CA7 | P43166 | 1/20 | 0.46 |
| ▸ | AKR1B1 | P15121 | 2/20 | 0.45 |
| ▸ | TSHR | P16473 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | GPR35 | Q9HC97 | 2/20 | 0.43 |
| ▸ | TP53 | P04637 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | THRB | P10828 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | PTPRC | P08575 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL9424845 | 0.83 | CYP1A2 (0.54) | CA1CA9AKR1B1TSHRALDH1A1 | |
| SCHEMBL5311818 | 0.82 | AKR1B1 (0.46) | CA1CA9CA2CA7AKR1B1 | |
| SCHEMBL10920807 | 0.81 | HSD17B10 (0.46) | CA1CA9AKR1B1TSHRALDH1A1 | |
| SCHEMBL30849385 | 0.81 | ALDH1A1 (0.43) | CA1CA9AKR1B1TSHRALDH1A1 | |
| SCHEMBL9230962 | 0.81 | ALDH1A1 (0.43) | CA1CA9AKR1B1TSHRALDH1A1 | |
| SCHEMBL24179080 | 0.81 | TSHR (0.42) | CA1CA9CA2CA7AKR1B1 | |
| SCHEMBL30330229 | 0.81 | ALDH1A1 (0.43) | CA1CA9AKR1B1TSHRALDH1A1 | |
| SCHEMBL1168188 | 0.81 | AKR1B1 (0.42) | CA1CA9CA2CA7AKR1B1 | |
| SCHEMBL1168414 | 0.80 | KMT2A (0.44) | CA1CA9CA2CA7AKR1B1 | |
| SCHEMBL9427783 | 0.77 | AKR1B1 (0.42) | CA1CA9CA2CA7AKR1B1 |
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-2020112845-A1 | PHARMACEUTICAL COMPOUNDS AND THERAPEUTIC METHODS | RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) | 2020-06-04 | — | — | WO | disclosed |