Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | CDC7 | O00311 | 6/20 | 0.42 |
| ▸ | DBF4 | Q9UBU7 | 6/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | PPARG | P37231 | 1/20 | 0.40 |
| ▸ | NCOA2 | Q15596 | 1/20 | 0.40 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.40 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7613881 | 0.89 | ALDH1A1 (0.51) | ALDH1A1CYP1A2NPC1TSHRHPGD | |
| SCHEMBL1919240 | 0.87 | ALDH1A1 (0.47) | ALDH1A1CYP1A2TSHRHPGDHSD17B10 | |
| SCHEMBL9644349 | 0.83 | GPR35 (0.44) | ALDH1A1TSHRHPGDHTTNPSR1 | |
| SCHEMBL21771163 | 0.82 | NPC1 (0.52) | ALDH1A1CYP1A2NPC1TSHRHPGD | |
| SCHEMBL2823884 | 0.82 | ALDH1A1 (0.63) | ALDH1A1CYP1A2NPC1TSHRHPGD | |
| SCHEMBL2823911 | 0.82 | ALDH1A1 (0.48) | ALDH1A1CYP1A2TSHRHPGDHSD17B10 | |
| SCHEMBL9644203 | 0.81 | GPR35 (0.47) | ALDH1A1HTTNPSR1MAPT | |
| SCHEMBL2719635 | 0.81 | NPC1 (0.49) | ALDH1A1CYP1A2NPC1TSHRHPGD | |
| SCHEMBL12324407 | 0.80 | NPC1 (0.50) | ALDH1A1CYP1A2NPC1TSHRHPGD | |
| SCHEMBL11156431 | 0.80 | ALDH1A1 (0.50) | ALDH1A1CYP1A2NPC1TSHRHPGD |
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-2008087611-A2 | PYRROLIDINE- AND PIPERIDINE- BIS-AMIDE DERIVATIVES | ACTELION PHARMACEUTICALS LTD (CH) | 2008-07-24 | — | — | WO | disclosed |