Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 13/20 | 0.65 |
| ▸ | NPC1 | O15118 | 11/20 | 0.65 |
| ▸ | RAB9A | P51151 | 11/20 | 0.65 |
| ▸ | MAPT | P10636 | 9/20 | 0.59 |
| ▸ | TP53 | P04637 | 5/20 | 0.53 |
| ▸ | HPGD | P15428 | 6/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.51 |
| ▸ | NFKB1 | P19838 | 3/20 | 0.51 |
| ▸ | NFKB2 | Q00653 | 3/20 | 0.51 |
| ▸ | RELA | Q04206 | 3/20 | 0.51 |
| ▸ | POLB | P06746 | 2/20 | 0.51 |
| ▸ | LMNA | P02545 | 2/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.51 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.51 |
| ▸ | GLA | P06280 | 1/20 | 0.51 |
| ▸ | CASP3 | P42574 | 1/20 | 0.51 |
| ▸ | CCR6 | P51684 | 1/20 | 0.51 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.51 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.51 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL3683672 | 0.84 | ALDH1A1 (0.50) | SMN1; SMN2NPC1RAB9AMAPTTP53 | |
| SCHEMBL4746341 | 0.82 | ALDH1A1 (0.48) | SMN1; SMN2NPC1RAB9AMAPTTP53 | |
| SCHEMBL9383681 | 0.81 | MAPT (0.66) | SMN1; SMN2NPC1RAB9AMAPTTP53 | |
| SCHEMBL12335145 | 0.81 | MAPT (0.66) | SMN1; SMN2NPC1RAB9AMAPTTP53 | |
| SCHEMBL11577752 | 0.79 | SMN1; SMN2 (1.00) | SMN1; SMN2NPC1RAB9AMAPTTP53 | |
| SCHEMBL19754131 | 0.78 | HPGD (0.45) | SMN1; SMN2NPC1RAB9AMAPTTP53 | |
| SCHEMBL3692788 | 0.77 | MAPT (0.48) | SMN1; SMN2NPC1RAB9AMAPTTP53 | |
| SCHEMBL20551471 | 0.77 | MAPT (0.60) | SMN1; SMN2NPC1RAB9AMAPTTP53 | |
| SCHEMBL9385586 | 0.75 | MAPT (1.00) | SMN1; SMN2NPC1RAB9AMAPTTP53 | |
| SCHEMBL2743094 | 0.75 | MAPT (0.58) | SMN1; SMN2NPC1RAB9AMAPTTP53 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008121861-A2 | PYRAZOLE AND PYRROLE COMPOUNDS USEFUL IN TREATING IRON DISORDERS | XENON PHARMACEUTICALS INC. (CA) | 2008-10-09 | — | — | WO | disclosed |
| WO-2008121861-A2 | PYRAZOLE AND PYRROLE COMPOUNDS USEFUL IN TREATING IRON DISORDERS | XENON PHARMACEUTICALS INC. (CA) | 2008-10-09 | — | — | WO | disclosed |