Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADH1B | P00325 | 1/20 | 0.61 |
| ▸ | ADH1C | P00326 | 1/20 | 0.61 |
| ▸ | ADH1A | P07327 | 1/20 | 0.61 |
| ▸ | ADH4 | P08319 | 1/20 | 0.61 |
| ▸ | ADH7 | P40394 | 1/20 | 0.61 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 2/20 | 0.34 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.34 |
| ▸ | ADRB2 | P07550 | 4/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | DNM1 | Q05193 | 1/20 | 0.32 |
| ▸ | MLYCD | O95822 | 1/20 | 0.32 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.31 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.31 |
| ▸ | DDAH1 | O94760 | 1/20 | 0.31 |
| ▸ | GAPDH | P04406 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL22617692 | 0.93 | — | — | |
| SCHEMBL20762550 | 0.79 | ADH1B (0.53) | ADH1BADH1CADH1AADH4ADH7 | |
| SCHEMBL9306489 | 0.79 | ADH1B (0.63) | ADH1BADH1CADH1AADH4ADH7 | |
| SCHEMBL277250 | 0.77 | ADH1B (0.96) | ADH1BADH1CADH1AADH4ADH7 | |
| SCHEMBL22157532 | 0.77 | ADH1B (0.61) | ADH1BADH1CADH1AADH4ADH7 | |
| SCHEMBL5003472 | 0.77 | ADH1B (0.96) | ADH1BADH1CADH1AADH4ADH7 | |
| SCHEMBL22419900 | 0.77 | ADH1B (0.61) | ADH1BADH1CADH1AADH4ADH7 | |
| SCHEMBL30583121 | 0.77 | ADH1B (0.96) | ADH1BADH1CADH1AADH4ADH7 | |
| SCHEMBL13537369 | 0.76 | ADH1B (0.64) | ADH1BADH1CADH1AADH4ADH7 | |
| SCHEMBL9797220 | 0.76 | ADH1B (1.00) | ADH1BADH1CADH1AADH4ADH7 |
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-2014123364-A1 | N1-CYCLIC AMINE-N5-SUBSTITUTED BIGUANIDE DERIVATIVES, METHODS OF PREPARING THE SAME AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME | HANALL BIOPHARMA CO., LTD. (KR) | 2014-08-14 | — | — | WO | disclosed |