Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ULK1 | O75385 | 1/20 | 0.40 |
| ▸ | QDPR | P09417 | 1/20 | 0.39 |
| ▸ | BRPF1 | P55201 | 1/20 | 0.39 |
| ▸ | CCNT1 | O60563 | 2/20 | 0.37 |
| ▸ | CDK9 | P50750 | 2/20 | 0.37 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | IMPDH2 | P12268 | 2/20 | 0.36 |
| ▸ | ABL1 | P00519 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | EHMT2 | Q96KQ7 | 1/20 | 0.35 |
| ▸ | EHMT1 | Q9H9B1 | 1/20 | 0.35 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.35 |
| ▸ | ACVR1 | Q04771 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | PLAU | P00749 | 1/20 | 0.35 |
| ▸ | PLAT | P00750 | 1/20 | 0.35 |
| ▸ | S1PR1 | P21453 | 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 | |
|---|---|---|---|---|
| SCHEMBL24670468 | 0.94 | QDPR (0.44) | ULK1QDPRBRPF1CCNT1CDK9 | |
| Trifluoroacetic Acid SCHEMBL29803719 | 0.88 | ULK1 (0.42) | ULK1CCNT1CDK9MAPKAPK2NAMPT | |
| Trifluoroacetic Acid SCHEMBL29803754 | 0.86 | MAPKAPK2 (0.46) | ULK1QDPRMAPKAPK2ABL1NAMPT | |
| Trifluoroacetic Acid SCHEMBL29803398 | 0.85 | IMPDH2 (0.41) | QDPRBRPF1CCNT1CDK9KMT2A | |
| SCHEMBL24670483 | 0.81 | ULK1 (0.41) | ULK1QDPRCCNT1CDK9MAPKAPK2 | |
| Trifluoroacetic Acid SCHEMBL29803266 | 0.80 | TRPV1 (0.40) | QDPRKMT2AIMPDH2CYP1A2CYP2C9 | |
| SCHEMBL29803604 | 0.80 | QDPR (0.52) | QDPRBRPF1CCNT1CDK9MAPKAPK2 | |
| SCHEMBL24669231 | 0.79 | MAPKAPK2 (0.52) | ULK1QDPRMAPKAPK2KMT2ANAMPT | |
| SCHEMBL24670406 | 0.78 | IMPDH2 (0.45) | QDPRBRPF1CCNT1CDK9MAPKAPK2 | |
| Trifluoroacetic Acid SCHEMBL29803413 | 0.77 | PTPN1 (0.47) | QDPRMAPKAPK2TGFBR1ACVR1KCNH2 |
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 |