Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPKAPK2 | P49137 | 6/20 | 0.53 |
| ▸ | LMNA | P02545 | 6/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | MAPT | P10636 | 4/20 | 0.39 |
| ▸ | POLB | P06746 | 3/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | ERN1 | O75460 | 1/20 | 0.37 |
| ▸ | HTR6 | P50406 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 3/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | CASP3 | P42574 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.36 |
| ▸ | SENP7 | Q9BQF6 | 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 | |
|---|---|---|---|---|
| SCHEMBL24669274 | 0.94 | MAPKAPK2 (0.59) | MAPKAPK2LMNAALDH1A1MAPTPOLB | |
| Trifluoroacetic Acid SCHEMBL29803526 | 0.84 | CCNT1 (0.46) | LMNAERN1HTR6CASP3SENP8 | |
| Trifluoroacetic Acid SCHEMBL29803620 | 0.84 | MAPKAPK2 (0.43) | MAPKAPK2ALDH1A1ERN1HTR6CCNT1 | |
| Trifluoroacetic Acid SCHEMBL29803685 | 0.84 | MAPKAPK2 (0.56) | MAPKAPK2LMNAALDH1A1MAPTPOLB | |
| Trifluoroacetic Acid SCHEMBL29803720 | 0.80 | CCNT1 (0.41) | LMNAMAPTERN1HTR6MEN1 | |
| Trifluoroacetic Acid SCHEMBL29803840 | 0.79 | MAPT (0.39) | MAPTERN1HTR6MEN1KMT2A | |
| Trifluoroacetic Acid SCHEMBL29803719 | 0.79 | ULK1 (0.42) | MAPKAPK2ERN1HTR6CCNT1CDK9 | |
| Trifluoroacetic Acid SCHEMBL29803956 | 0.78 | CCNT1 (0.43) | MAPKAPK2MAPTHTR6MEN1KMT2A | |
| Trifluoroacetic Acid SCHEMBL29803744 | 0.78 | ERN1 (0.40) | MAPKAPK2ERN1HTR6CCNT1CDK9 | |
| SCHEMBL24669887 | 0.77 | MAPKAPK2 (0.48) | MAPKAPK2ALDH1A1ERN1HTR6CCNT1 |
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 |