Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPM8 | Q7Z2W7 | 5/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.32 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.32 |
| ▸ | ACACB | O00763 | 2/20 | 0.31 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.31 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.31 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.31 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.31 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.31 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.31 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.31 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.31 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.31 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.31 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.31 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.31 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.31 |
| ▸ | CNR1 | P21554 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL29634722 | 0.92 | TRPM8 (0.32) | TRPM8EPHX2HDAC3HDAC4HDAC1 | |
| SCHEMBL29634694 | 0.85 | TRPM8 (0.35) | TRPM8HRH3EPHX2ACACBHDAC3 | |
| SCHEMBL29634705 | 0.78 | TRPM8 (0.34) | TRPM8EPHX2HDAC3HDAC4HDAC1 | |
| SCHEMBL24409027 | 0.78 | CYP11B2 (0.41) | ACACB | |
| SCHEMBL29634711 | 0.76 | HDAC3 (0.30) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL24409009 | 0.76 | HDAC3 (0.30) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL24408810 | 0.72 | — | — | |
| Trifluoroacetic Acid SCHEMBL29634713 | 0.72 | — | — | |
| SCHEMBL24408834 | 0.71 | NR1H2 (0.40) | ACACBHDAC4HDAC1 | |
| SCHEMBL24408819 | 0.70 | HDAC3 (0.33) | 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-2022095971-A1 | SPIRO HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF | 上海医药集团股份有限公司 | 2022-05-12 | — | — | WO | disclosed |