Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NAAA | Q02083 | 1/20 | 0.39 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.36 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.36 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.36 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.36 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.36 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.36 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.36 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.36 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.36 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.35 |
| ▸ | IGF1R | P08069 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 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 | |
|---|---|---|---|---|
| SCHEMBL22728644 | 0.84 | GAA (0.38) | NAAAS1PR1HDAC3HDAC4HDAC1 | |
| SCHEMBL22914872 | 0.74 | GAA (0.43) | TAAR1 | |
| SCHEMBL11360364 | 0.70 | KCNH2 (0.43) | NAAAHDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL11639984 | 0.68 | TAAR1 (0.42) | CHRM2CHRM1CHRM3TAAR1 | |
| SCHEMBL11206802 | 0.68 | MAPK1 (0.43) | NAAAHDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL8100581 | 0.67 | NAAA (0.38) | NAAAHDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL9139804 | 0.67 | — | — | |
| SCHEMBL11203232 | 0.66 | ABCB11 (0.41) | NAAAS1PR1HDAC3HDAC4HDAC1 | |
| SCHEMBL15648040 | 0.66 | TAAR1 (0.37) | NAAAS1PR1HDAC3HDAC4HDAC1 | |
| SCHEMBL18050371 | 0.65 | TAAR1 (0.62) | HDAC3HDAC4HDAC1HDAC7HDAC2 |
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-2020243754-A1 | LIGAND-ENABLED ß-C(sp3)–H LACTONIZATION FOR ß-C–H FUNCTIONALIZATIONS | THE SCRIPPS RESEARCH INSTITUTE (US) | 2020-12-03 | — | — | WO | disclosed |