Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MLYCD | O95822 | 3/20 | 0.49 |
| ▸ | NR1H4 | Q96RI1 | 2/20 | 0.47 |
| ▸ | KLK1 | P06870 | 2/20 | 0.47 |
| ▸ | KLK5 | Q9Y337 | 2/20 | 0.47 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.44 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | ST14 | Q9Y5Y6 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 4/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.43 |
| ▸ | NAMPT | P43490 | 3/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL24670339 | 0.92 | TRPV1 (0.50) | NR1H4TRPV1HDAC1HDAC2NPC1 | |
| SCHEMBL24892365 | 0.87 | ST14 (0.55) | NR1H4TRPV1HDAC1HDAC2NPC1 | |
| Trifluoroacetic Acid SCHEMBL30182593 | 0.84 | HDAC1 (0.53) | MLYCDKLK1KLK5HDAC1HDAC2 | |
| Trifluoroacetic Acid SCHEMBL30182466 | 0.81 | KDM4E (0.44) | KLK1KLK5KDM4E | |
| Trifluoroacetic Acid SCHEMBL28211814 | 0.80 | ST14 (0.44) | MLYCDHDAC1ST14 | |
| Trifluoroacetic Acid SCHEMBL30182432 | 0.79 | MAPT (0.42) | KLK1KLK5MAPTKDM4E | |
| Trifluoroacetic Acid SCHEMBL29142995 | 0.79 | NR1H4 (0.49) | NR1H4KLK1KLK5ST14 | |
| Trifluoroacetic Acid SCHEMBL30725587 | 0.79 | NR1H4 (0.49) | NR1H4KLK1KLK5ST14 | |
| SCHEMBL24892364 | 0.79 | ST14 (0.47) | NR1H4TRPV1HDAC1HDAC2NPC1 | |
| Trifluoroacetic Acid SCHEMBL17894363 | 0.79 | NPC1 (0.52) | NR1H4KLK1KLK5NPC1RAB9A |
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 |