Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B1 | P14061 | 4/20 | 0.50 |
| ▸ | HSD17B2 | P37059 | 4/20 | 0.50 |
| ▸ | NAMPT | P43490 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | POLB | P06746 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | EGFR | P00533 | 1/20 | 0.45 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | GRM1 | Q13255 | 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 | |
|---|---|---|---|---|
| SCHEMBL24669260 | 0.93 | KDM4E (0.50) | ALDH1A1RAB9AKMT2AEGFRERBB2 | |
| SCHEMBL12938525 | 0.91 | HSD17B1 (0.57) | HSD17B1HSD17B2NAMPTALDH1A1SMN1; SMN2 | |
| SCHEMBL24891812 | 0.86 | EGFR (0.49) | ALDH1A1RAB9AKMT2APOLBMEN1 | |
| SCHEMBL25491787 | 0.85 | HSD17B1 (0.59) | HSD17B1HSD17B2NAMPTALDH1A1SMN1; SMN2 | |
| SCHEMBL28867923 | 0.84 | KDM4E (0.59) | ALDH1A1RAB9AKMT2APOLBEGFR | |
| SCHEMBL21780123 | 0.84 | HSP90AA1 (0.54) | HSD17B1HSD17B2NAMPTALDH1A1SMN1; SMN2 | |
| SCHEMBL28867918 | 0.84 | KMT2A (0.64) | ALDH1A1RAB9AKMT2APOLBMEN1 | |
| SCHEMBL4659080 | 0.83 | HDAC6 (0.67) | HSD17B1HSD17B2NAMPTALDH1A1SMN1; SMN2 | |
| SCHEMBL4659287 | 0.83 | HDAC6 (0.67) | HSD17B1HSD17B2NAMPTALDH1A1SMN1; SMN2 | |
| SCHEMBL7406735 | 0.82 | HSD17B1 (0.50) | HSD17B1HSD17B2NAMPTALDH1A1SMN1; SMN2 |
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-2023287736-A1 | NOVEL BIS-AMIDE CONTAINING COMPOUNDS EXHIBITING ANTIFUNGAL ACTIVITY AND THEIR METHOD OF USE | FOX CHASE CHEMICAL DIVERSITY CENTER, INC. (US) | 2023-01-19 | — | — | WO | disclosed |