Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHODH | Q02127 | 1/20 | 0.46 |
| ▸ | KIF11 | P52732 | 1/20 | 0.45 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.41 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.41 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.41 |
| ▸ | TOP1 | P11387 | 2/20 | 0.40 |
| ▸ | IDO1 | P14902 | 1/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.38 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.38 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | METAP2 | P50579 | 1/20 | 0.37 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | CCNC | P24863 | 1/20 | 0.36 |
| ▸ | CDK8 | P49336 | 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 | |
|---|---|---|---|---|
| SCHEMBL28146276 | 0.86 | DHODH (0.53) | DHODHKIF11TOP1METAP2PDK2 | |
| SCHEMBL26951544 | 0.81 | CYP2A6 (0.42) | DHODHTOP1METAP2CYP1A2CYP3A4 | |
| SCHEMBL28148515 | 0.81 | DHODH (0.44) | DHODHTOP1METAP2PDK2AKT1 | |
| SCHEMBL30338495 | 0.81 | CYP2A6 (0.50) | DHODHCYP11B1CYP11B2LMNAMAPT | |
| SCHEMBL3138561 | 0.81 | CYP2A6 (0.50) | DHODHCYP11B1CYP11B2LMNAMAPT | |
| SCHEMBL22601440 | 0.81 | KIF11 (0.44) | KIF11IDO1LMNAMAPTNOTUM | |
| SCHEMBL26951230 | 0.77 | DHODH (0.40) | DHODHMETAP2PDK2 | |
| SCHEMBL3135649 | 0.75 | DHODH (0.45) | DHODHTOP1LMNAMETAP2PDK2 | |
| SCHEMBL2489325 | 0.74 | MAPT (0.49) | DHODHCYP11B1CYP11B2LMNAMAPT | |
| SCHEMBL29889660 | 0.74 | MAPT (0.49) | DHODHCYP11B1CYP11B2LMNAMAPT |
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-2024059204-A1 | HETEROARYL ANALOGS AS MGLU5 NEGATIVE ALLOSTERIC MODULATORS AND METHODS OF MAKING AND USING THE SAME | VANDERBILT UNIVERSITY (US) | 2024-03-21 | — | — | WO | disclosed |