Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ENPP2 | Q13822 | 1/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.43 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.43 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.43 |
| ▸ | XDH | P47989 | 1/20 | 0.43 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.42 |
| ▸ | ALKBH1 | Q13686 | 1/20 | 0.41 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.40 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.40 |
| ▸ | BACE1 | P56817 | 1/20 | 0.40 |
| ▸ | MAP3K11 | Q16584 | 1/20 | 0.40 |
| ▸ | GLO1 | Q04760 | 1/20 | 0.39 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.39 |
| ▸ | CTNNB1 | P35222 | 2/20 | 0.38 |
| ▸ | WNT3A | P56704 | 2/20 | 0.38 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.38 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.38 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.38 |
| ▸ | CHRNA10 | Q9GZZ6 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8868720 | 0.79 | DYRK3 (0.51) | NPC1CYP17A1CYP11B1CYP11B2S1PR1 | |
| SCHEMBL7464319 | 0.78 | PDE5A (0.50) | XDHALKBH1L3MBTL1 | |
| SCHEMBL3901006 | 0.77 | NPC1 (0.64) | ENPP2NPC1CYP17A1CYP11B1CYP11B2 | |
| SCHEMBL18828552 | 0.75 | NPC1 (0.59) | NPC1CYP17A1CYP11B1CYP11B2S1PR1 | |
| SCHEMBL5103334 | 0.73 | GABRG2 (0.56) | ENPP2NPC1LOXL2BACE1CYP19A1 | |
| SCHEMBL329575 | 0.73 | ALOX5 (0.62) | ENPP2NPC1NSD2ABL1PPARG | |
| SCHEMBL6669227 | 0.72 | ENPP2 (0.48) | ENPP2NPC1CYP17A1CYP11B1CYP11B2 | |
| Pyridine SCHEMBL28518713 | 0.72 | ALOX5 (0.53) | ENPP2NPC1CYP17A1CYP11B1CYP11B2 | |
| SCHEMBL30488441 | 0.72 | GRM5 (0.43) | ENPP2LOXL2NSD2ABL1PPARG | |
| SCHEMBL5364336 | 0.72 | GRM5 (0.43) | ENPP2LOXL2NSD2ABL1PPARG |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0674620-A1 | TRYPTAMINE ANALOGUES AS 5-HT 1?-LIKE AGONISTS | SMITHKLINE BEECHAM PLC (GB) | 1995-10-04 | — | — | EP | disclosed |
| WO-1994014771-A1 | TRYPTAMINE ANALOGUES AS 5-HT1-LIKE AGONISTS | SMITHKLINE BEECHAM PLC (GB) | 1994-07-07 | — | — | WO | disclosed |