Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 3/20 | 0.52 |
| ▸ | GFER | P55789 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.48 |
| ▸ | MEN1 | O00255 | 3/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 5/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 2/20 | 0.47 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.46 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL20274197 | 0.85 | AKR1C3 (0.62) | AKR1C3KMT2AMEN1TSHRMAPT | |
| SCHEMBL14924441 | 0.85 | AKR1C3 (0.65) | AKR1C3GFERKMT2AMEN1MAPT | |
| SCHEMBL23336140 | 0.84 | AKR1C3 (0.54) | AKR1C3KMT2AMEN1MAPTGAA | |
| SCHEMBL20274116 | 0.83 | POLB (0.54) | AKR1C3GFERKMT2AMEN1MAPT | |
| SCHEMBL20651324 | 0.83 | AKR1C3 (0.52) | AKR1C3KMT2AMEN1MAPTGAA | |
| SCHEMBL20274173 | 0.83 | AKR1C3 (0.68) | AKR1C3KMT2AMEN1TSHRMAPT | |
| SCHEMBL20274123 | 0.80 | POLB (0.55) | AKR1C3KMT2AMEN1TSHRMAPT | |
| SCHEMBL22542023 | 0.79 | AKR1C3 (0.58) | AKR1C3GFERKMT2AMEN1MAPT | |
| SCHEMBL15535375 | 0.77 | GPR119 (0.60) | KMT2AMEN1TSHRMAPTHTT | |
| SCHEMBL20651143 | 0.77 | TSHR (0.48) | KMT2AMEN1TSHRMAPTHTT |
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 |
|---|---|---|---|---|---|---|---|
| EP-3428162-A1 | ANTHELMINTIC COMPOUNDS AND COMPOSITIONS AND METHOD OF USING THEREOF | Merial Inc. (US) | 2019-01-16 | — | — | EP | disclosed |