Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIN1 | Q13526 | 3/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | PDE4A | P27815 | 1/20 | 0.40 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.40 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.40 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.40 |
| ▸ | IDO1 | P14902 | 2/20 | 0.40 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.39 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.39 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL31262384 | 0.84 | PDPK1 (0.44) | PIN1CYP2D6PDE4APDE4BPDE4C | |
| SCHEMBL8037310 | 0.77 | CYP1A2 (0.47) | PIN1CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL8055209 | 0.77 | CYP1A2 (0.47) | PIN1CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL7901109 | 0.77 | CYP1A2 (0.47) | PIN1CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL14226877 | 0.77 | CYP1A2 (0.47) | PIN1CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL29568643 | 0.77 | CYP1A2 (0.47) | PIN1CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL901095 | 0.77 | CYP1A2 (0.47) | PIN1CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL9266532 | 0.76 | CYP1A2 (0.46) | PIN1CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL17476082 | 0.76 | CYP1A2 (0.46) | PIN1CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL2568184 | 0.76 | CYP1A2 (0.46) | PIN1CYP1A2CYP2D6CYP2C9CYP2C19 |
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-3672977-B1 | BORONIC ACID DERIVATIVES | MERCK PATENT GMBH (DE) | 2022-06-22 | — | — | EP | disclosed |