Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.45 |
| ▸ | COMT | P21964 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | DAO | P14920 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | ESR1 | P03372 | 1/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.38 |
| ▸ | BACE1 | P56817 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL24622008 | 0.85 | COMT (0.39) | COMTALDH1A1KCNH2HPGDTSHR | |
| SCHEMBL13495125 | 0.80 | L3MBTL1 (0.47) | COMTKCNH2HPGDTSHRDAO | |
| SCHEMBL3148910 | 0.77 | HCAR2 (0.53) | HCAR2ALDH1A1HPGDTSHRTDP1 | |
| SCHEMBL16509725 | 0.73 | HCAR2 (0.50) | HCAR2COMTALDH1A1KCNH2HPGD | |
| SCHEMBL20897256 | 0.73 | GAA (0.57) | HCAR2ALDH1A1LMNAGAAHTT | |
| SCHEMBL64650 | 0.73 | BACE1 (0.49) | ALDH1A1KCNH2DAOESR1ESR2 | |
| SCHEMBL24622014 | 0.72 | KCNH2 (0.43) | HCAR2COMTALDH1A1KCNH2HPGD | |
| SCHEMBL27768180 | 0.71 | RAB9A (0.52) | ALDH1A1KCNH2HPGDDAOLMNA | |
| SCHEMBL9553194 | 0.71 | ESR1 (0.50) | ALDH1A1DAOTDP1L3MBTL1ESR1 | |
| SCHEMBL9842140 | 0.71 | TSHR (0.44) | HCAR2COMTALDH1A1HPGDTSHR |
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-2021213500-A1 | COMPOUNDS AND PHARMACEUTICAL USES THEREOF | SYNEURX INTERNATIONAL (TAIWAN) CORP. (CN) | 2021-10-28 | — | — | WO | disclosed |