Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | GPR3 | P46089 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL89446 | 0.70 | SMN1; SMN2 (0.58) | SMN1; SMN2NPC1RAB9AALDH1A1ESR1 | |
| SCHEMBL8157747 | 0.68 | NPC1 (0.33) | NPC1L3MBTL1 | |
| SCHEMBL668081 | 0.68 | CYP1A2 (0.48) | ALDH1A1L3MBTL1 | |
| Ammonia Solution, Strong SCHEMBL27658861 | 0.68 | SMN1; SMN2 (0.56) | SMN1; SMN2NPC1RAB9AALDH1A1ESR1 | |
| SCHEMBL2409495 | 0.68 | CYP2A6 (0.33) | SMN1; SMN2ALDH1A1GPR3 | |
| SCHEMBL21571314 | 0.67 | CYP2A6 (0.35) | — | |
| SCHEMBL11815692 | 0.67 | GOT1 (0.39) | SMN1; SMN2NPC1RAB9AALDH1A1MEN1 | |
| SCHEMBL2407351 | 0.66 | HPRT1 (0.35) | ALDH1A1 | |
| SCHEMBL4824194 | 0.66 | HPRT1 (0.35) | ALDH1A1 | |
| SCHEMBL24104 | 0.66 | HPRT1 (0.35) | ALDH1A1 |
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-2009001127-A1 | CYANOCYCLOPROPYLCARBOXAMIDES AS CATHEPSIN INHIBITORS | ASTRAZENECA AB (SE) | 2008-12-31 | — | — | WO | disclosed |