Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK2 | Q15119 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.35 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.35 |
| ▸ | PI4KA | P42356 | 1/20 | 0.35 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.35 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | CCR1 | P32246 | 1/20 | 0.35 |
| ▸ | CCR5 | P51681 | 1/20 | 0.35 |
| ▸ | CCR8 | P51685 | 1/20 | 0.35 |
| ▸ | METAP1 | P53582 | 1/20 | 0.35 |
| ▸ | BLM | P54132 | 1/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL23123380 | 1.00 | PDK2 (0.36) | PDK2CYP1A2CYP2D6CYP19A1CYP2C9 | |
| SCHEMBL15630460 | 0.77 | MAPT (0.50) | PDK2CYP1A2CYP2D6CYP19A1CYP2C9 | |
| SCHEMBL21846250 | 0.77 | PDK2 (0.40) | PDK2CYP1A2CYP2D6CYP19A1CYP2C9 | |
| SCHEMBL29789803 | 0.73 | CCNC (0.34) | PDK2PIK3CDPIK3CAPIK3CG | |
| SCHEMBL23123529 | 0.70 | PGR (0.37) | CYP1A2KDM4ELMNAPOLBCCR1 | |
| SCHEMBL29790013 | 0.70 | PGR (0.37) | CYP1A2KDM4ELMNAPOLBCCR1 | |
| SCHEMBL29789697 | 0.69 | MAPT (0.50) | PDK2KDM4ECYP3A4 | |
| SCHEMBL18289150 | 0.69 | PDK2 (0.44) | PDK2CYP1A2CYP2D6CYP19A1CYP2C9 | |
| SCHEMBL23123980 | 0.69 | AR (0.43) | PDK2CYP1A2CYP2D6CYP19A1CYP2C9 | |
| SCHEMBL12721336 | 0.67 | PDK2 (0.48) | PDK2CYP1A2CYP2D6CYP19A1CYP2C9 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114901652-A | Substituted saturated and unsaturated N-heterocyclic carboxamides and related compounds for the treatment of medical disorders | 比亚尔R&D投资股份公司 | 2022-08-12 | — | — | CN | disclosed |
| EP-4031540-A1 | SUBSTITUTED, SATURATED AND UNSATURATED N-HETEROCYCLIC CARBOXAMIDES AND RELATED COMPOUNDS FOR THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS | Bial-R&D Investments, S.A. (PT) | 2022-07-27 | — | — | EP | disclosed |