Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NAMPT | P43490 | 2/20 | 0.39 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.36 |
| ▸ | GRM5 | P41594 | 6/20 | 0.36 |
| ▸ | GRM1 | Q13255 | 6/20 | 0.36 |
| ▸ | CDK9 | P50750 | 3/20 | 0.35 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.35 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.34 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.33 |
| ▸ | CDK7 | P50613 | 1/20 | 0.33 |
| ▸ | CDK13 | Q14004 | 1/20 | 0.33 |
| ▸ | CDK12 | Q9NYV4 | 1/20 | 0.33 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | CASP3 | P42574 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL24670022 | 0.90 | NAMPT (0.42) | NAMPTSOS1GRM5GRM1CDK9 | |
| SCHEMBL24667840 | 0.86 | CDK9 (0.41) | NAMPTSOS1GRM5GRM1CDK9 | |
| SCHEMBL24670906 | 0.86 | NAMPT (0.35) | NAMPTSOS1GRM5GRM1CDK9 | |
| SCHEMBL24670577 | 0.85 | PDK4 (0.39) | NAMPTSOS1GRM5GRM1CDK9 | |
| SCHEMBL24670115 | 0.84 | NAMPT (0.43) | NAMPTSOS1GRM5GRM1PDK4 | |
| SCHEMBL27025831 | 0.84 | SOS1 (0.38) | NAMPTSOS1GRM5GRM1CDK9 | |
| SCHEMBL24670639 | 0.84 | NAMPT (0.39) | NAMPTSOS1GRM5GRM1CDK9 | |
| SCHEMBL27007926 | 0.83 | SOS1 (0.38) | NAMPTSOS1GRM5GRM1CDK9 | |
| SCHEMBL29803756 | 0.83 | NAMPT (0.39) | NAMPTCDK9PDK4ALDH1A1MAPT | |
| SCHEMBL24670584 | 0.83 | NAMPT (0.42) | NAMPTSOS1GRM5GRM1PDK4 |
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 |