Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B1 | P15538 | 1/20 | 0.35 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.35 |
| ▸ | RARA | P10276 | 1/20 | 0.35 |
| ▸ | RARB | P10826 | 1/20 | 0.35 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.34 |
| ▸ | S1PR3 | Q99500 | 2/20 | 0.34 |
| ▸ | GAK | O14976 | 1/20 | 0.33 |
| ▸ | HTR1A | P08908 | 1/20 | 0.33 |
| ▸ | HTR7 | P34969 | 1/20 | 0.33 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.32 |
| ▸ | USP7 | Q93009 | 1/20 | 0.32 |
| ▸ | EDNRB | P24530 | 2/20 | 0.31 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | CLK1 | P49759 | 1/20 | 0.31 |
| ▸ | MAOB | P27338 | 1/20 | 0.31 |
| ▸ | ATP4A | P20648 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL19636766 | 0.86 | RARA (0.45) | CYP11B1CYP11B2RARARARBGAK | |
| SCHEMBL16265191 | 0.82 | RARB (0.48) | RARARARBCYP3A4CYP2D6CYP19A1 | |
| SCHEMBL17696654 | 0.79 | RARA (0.40) | CYP11B1CYP11B2RARARARBS1PR1 | |
| SCHEMBL21134114 | 0.78 | CYP11B1 (0.45) | CYP11B1CYP11B2CYP3A4CYP2C19POLB | |
| SCHEMBL16265325 | 0.77 | RARB (0.41) | RARARARBS1PR1S1PR3MCL1 | |
| SCHEMBL16265268 | 0.76 | RARB (0.43) | RARARARBS1PR1S1PR3MCL1 | |
| SCHEMBL19456752 | 0.76 | RARB (0.43) | RARARARBS1PR1CYP3A4CYP2D6 | |
| SCHEMBL19798758 | 0.74 | RARA (0.39) | RARARARBS1PR1S1PR3MCL1 | |
| SCHEMBL22268268 | 0.74 | S1PR1 (0.42) | RARARARBS1PR1S1PR3MCL1 | |
| SCHEMBL17694360 | 0.73 | RARB (0.41) | RARARARBS1PR1S1PR3MCL1 |
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-3623451-B1 | COMPOUND | MERCK PATENT GMBH (DE) | 2021-01-20 | — | — | EP | disclosed |