Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 3/20 | 0.52 |
| ▸ | CA2 | P00918 | 3/20 | 0.52 |
| ▸ | NAMPT | P43490 | 2/20 | 0.51 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.50 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.50 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | FPR3 | P25089 | 1/20 | 0.44 |
| ▸ | FPR2 | P25090 | 1/20 | 0.44 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.43 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.43 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.43 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.43 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.43 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.43 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.43 |
| ▸ | HDAC5 | Q9UQL6 | 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 | |
|---|---|---|---|---|
| SCHEMBL1163445 | 0.86 | CA1 (0.54) | CA1CA2NAMPTHDAC8HDAC3 | |
| SCHEMBL1163649 | 0.85 | NAMPT (0.55) | CA1CA2NAMPTHDAC8HDAC3 | |
| SCHEMBL10061137 | 0.84 | CA1 (0.58) | CA1CA2NAMPTHDAC8HDAC3 | |
| SCHEMBL1163761 | 0.83 | CA1 (0.54) | CA1CA2NAMPTHDAC8HDAC3 | |
| SCHEMBL4456279 | 0.80 | CA1 (0.48) | CA1CA2NAMPTHDAC8HDAC3 | |
| SCHEMBL31390514 | 0.80 | NAMPT (0.52) | CA1CA2NAMPTHDAC8HDAC3 | |
| SCHEMBL15669255 | 0.79 | NAMPT (0.56) | CA1CA2NAMPTHDAC3MAPT | |
| SCHEMBL31390526 | 0.79 | NAMPT (0.51) | CA1CA2NAMPTMAPTTDP1 | |
| SCHEMBL15692011 | 0.79 | NAMPT (0.58) | CA1CA2NAMPTMAPTTDP1 | |
| SCHEMBL7931746 | 0.79 | NAMPT (0.58) | CA1CA2NAMPTMAPTTDP1 |
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 |