Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NAMPT | P43490 | 2/20 | 0.59 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.48 |
| ▸ | BTK | Q06187 | 1/20 | 0.47 |
| ▸ | WNT3A | P56704 | 1/20 | 0.46 |
| ▸ | JAK1 | P23458 | 1/20 | 0.44 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.43 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.43 |
| ▸ | PTPN6 | P29350 | 1/20 | 0.43 |
| ▸ | KIT | P10721 | 1/20 | 0.43 |
| ▸ | CDK7 | P50613 | 1/20 | 0.43 |
| ▸ | CDK13 | Q14004 | 1/20 | 0.43 |
| ▸ | CDK12 | Q9NYV4 | 1/20 | 0.43 |
| ▸ | HTR6 | P50406 | 1/20 | 0.42 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.42 |
| ▸ | GRM1 | Q13255 | 3/20 | 0.42 |
| ▸ | GRM5 | P41594 | 2/20 | 0.42 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.42 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.41 |
| ▸ | EED | O75530 | 1/20 | 0.41 |
| ▸ | RBBP4 | Q09028 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL24669927 | 0.91 | NAMPT (0.57) | NAMPTPDK4BTKWNT3AJAK1 | |
| SCHEMBL24670495 | 0.90 | NAMPT (0.56) | NAMPTPDK4BTKWNT3AJAK1 | |
| SCHEMBL29803723 | 0.84 | NAMPT (0.45) | NAMPTBTKWNT3A | |
| SCHEMBL24670474 | 0.83 | NPC1 (0.41) | NAMPT | |
| SCHEMBL24669916 | 0.83 | NAMPT (0.59) | NAMPTPDK4BTKWNT3AJAK1 | |
| SCHEMBL24669223 | 0.82 | NAMPT (0.61) | NAMPTPDK4BTKWNT3AJAK1 | |
| SCHEMBL24670746 | 0.81 | NAMPT (0.61) | NAMPTPDK4WNT3AJAK1PTPN2 | |
| SCHEMBL24670473 | 0.81 | NAMPT (0.59) | NAMPTPDK4BTKWNT3AJAK1 | |
| SCHEMBL22325022 | 0.80 | NAMPT (0.71) | NAMPTPDK4WNT3AJAK1PTPN2 | |
| Trifluoroacetic Acid SCHEMBL29803429 | 0.80 | NPC1 (0.40) | NAMPT |
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-2022192162-A1 | NOVEL HETEROAROMATIC COMPOUNDS EXHIBITING ANTIFUNGAL ACTIVITY AND THEIR METHOD OF USE | FOX CHASE CHEMICAL DIVERSITY CENTER, INC. (US) | 2022-09-15 | — | — | WO | disclosed |