Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR3 | P49019 | 1/20 | 0.35 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | HMGCR | P04035 | 1/20 | 0.32 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.31 |
| ▸ | COPS5 | Q92905 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.31 |
| ▸ | ESR1 | P03372 | 1/20 | 0.30 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL20967854 | 0.79 | HMGCR (0.35) | HMGCRTSHRESR1ESR2 | |
| SCHEMBL1760148 | 0.79 | KDM4E (0.41) | HCAR3HCAR2KDM4EALOX15TSHR | |
| SCHEMBL17465991 | 0.68 | NOS3 (0.50) | HCAR3HCAR2KDM4EPTGER1ALOX15 | |
| SCHEMBL3087546 | 0.66 | HCAR3 (0.44) | HCAR3HCAR2KDM4EALOX15TSHR | |
| SCHEMBL16369768 | 0.66 | HCAR2 (0.41) | HCAR2KDM4EALOX15TSHRHIF1A | |
| SCHEMBL19151634 | 0.65 | ADORA3 (0.42) | TSHR | |
| SCHEMBL31636273 | 0.65 | ADORA3 (0.42) | TSHR | |
| SCHEMBL24993310 | 0.64 | P2RX7 (0.41) | KDM4E | |
| SCHEMBL1425522 | 0.64 | ALDH1A1 (0.40) | KDM4EALOX15TSHRHIF1AESR1 | |
| SCHEMBL69399 | 0.64 | KDM4E (0.55) | HCAR2KDM4EALOX15TSHRHIF1A |
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-2023235753-A2 | ALDH2 INHIBITORS AND METHODS OF USE THEREOF | UNIVERSITY OF MARYLAND, BALTIMORE (US) | 2023-12-07 | — | — | WO | disclosed |