Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCNT1 | O60563 | 4/20 | 0.48 |
| ▸ | CDK9 | P50750 | 4/20 | 0.48 |
| ▸ | HTR6 | P50406 | 2/20 | 0.40 |
| ▸ | MELK | Q14680 | 2/20 | 0.39 |
| ▸ | MAOB | P27338 | 3/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | CASP3 | P42574 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.38 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.38 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.38 |
| ▸ | NAMPT | P43490 | 1/20 | 0.38 |
| ▸ | AURKA | O14965 | 1/20 | 0.37 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.37 |
| ▸ | BTK | Q06187 | 1/20 | 0.37 |
| ▸ | BRPF1 | P55201 | 1/20 | 0.37 |
| ▸ | RARA | P10276 | 1/20 | 0.36 |
| ▸ | RARB | P10826 | 1/20 | 0.36 |
| ▸ | RARG | P13631 | 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 | |
|---|---|---|---|---|
| SCHEMBL29803253 | 0.93 | CCNT1 (0.47) | CCNT1CDK9HTR6MELKBTK | |
| SCHEMBL29804024 | 0.92 | CCNT1 (0.51) | CCNT1CDK9HTR6MELKMAOB | |
| SCHEMBL29803346 | 0.87 | NAMPT (0.51) | CCNT1CDK9HTR6MELKNAMPT | |
| Trifluoroacetic Acid SCHEMBL29803526 | 0.86 | CCNT1 (0.46) | CCNT1CDK9HTR6MELKMAOB | |
| Hydrochloric Acid SCHEMBL29803706 | 0.84 | CCNT1 (0.47) | CCNT1CDK9HTR6MELKMAOB | |
| SCHEMBL29803785 | 0.84 | CCNT1 (0.47) | CCNT1CDK9MELKMAOBNPC1 | |
| SCHEMBL24671360 | 0.84 | CCNT1 (0.47) | CCNT1CDK9HTR6MELKMAOB | |
| SCHEMBL29803629 | 0.84 | CCNT1 (0.49) | CCNT1CDK9HTR6MELKMAOB | |
| SCHEMBL29803851 | 0.84 | CCNT1 (0.47) | CCNT1CDK9HTR6MELKMAOB | |
| SCHEMBL24670269 | 0.83 | CCNT1 (0.49) | CCNT1CDK9HTR6NPC1RAB9A |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
| 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 |