Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | QDPR | P09417 | 3/20 | 0.47 |
| ▸ | HTR2C | P28335 | 7/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.41 |
| ▸ | CTSL | P07711 | 1/20 | 0.40 |
| ▸ | CTSB | P07858 | 1/20 | 0.40 |
| ▸ | CTSS | P25774 | 1/20 | 0.40 |
| ▸ | CTSK | P43235 | 1/20 | 0.40 |
| ▸ | CCNT1 | O60563 | 2/20 | 0.40 |
| ▸ | CDK9 | P50750 | 2/20 | 0.40 |
| ▸ | NAMPT | P43490 | 1/20 | 0.40 |
| ▸ | FTO | Q9C0B1 | 1/20 | 0.39 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.39 |
| ▸ | HTR6 | P50406 | 1/20 | 0.38 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.38 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL24670128 | 0.86 | CCNT1 (0.50) | QDPRHTR2CSIGMAR1CCNT1CDK9 | |
| SCHEMBL29803546 | 0.83 | QDPR (0.47) | QDPRHTR2CSIGMAR1CCNT1CDK9 | |
| SCHEMBL24670907 | 0.79 | CCNT1 (0.38) | QDPRHTR2CSIGMAR1CTSLCTSB | |
| SCHEMBL24671117 | 0.78 | QDPR (0.42) | QDPRHTR2CSIGMAR1CCNT1CDK9 | |
| SCHEMBL29803699 | 0.78 | MAPKAPK2 (0.44) | QDPRHTR2CCCNT1CDK9NAMPT | |
| SCHEMBL29804007 | 0.78 | MAPKAPK2 (0.46) | QDPRHTR2CSIGMAR1CCNT1CDK9 | |
| SCHEMBL29803746 | 0.78 | CCNT1 (0.42) | QDPRHTR2CSIGMAR1CCNT1CDK9 | |
| SCHEMBL29803664 | 0.77 | SLC2A1 (0.47) | NAMPTMAPKAPK2 | |
| Trifluoroacetic Acid SCHEMBL29803385 | 0.77 | QDPR (0.41) | QDPRHTR2CSIGMAR1CCNT1CDK9 | |
| SCHEMBL29803540 | 0.77 | HTR2C (0.43) | QDPRHTR2CCCNT1CDK9NAMPT |
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 |