Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL1899602 | 1.00 | NPC1 (0.40) | NPC1RAB9AALDH1A1SMN1; SMN2KMT2A | |
| SCHEMBL262033 | 0.80 | NPC1 (0.43) | NPC1RAB9AALDH1A1SMN1; SMN2KMT2A | |
| SCHEMBL15808844 | 0.78 | — | — | |
| SCHEMBL15151785 | 0.77 | NPC1 (0.35) | NPC1RAB9AALDH1A1SMN1; SMN2KMT2A | |
| SCHEMBL6158700 | 0.75 | — | — | |
| SCHEMBL9856251 | 0.75 | — | — | |
| SCHEMBL6158705 | 0.75 | — | — | |
| SCHEMBL10475100 | 0.75 | — | — | |
| SCHEMBL10460877 | 0.73 | — | — | |
| SCHEMBL262330 | 0.73 | — | — |
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-2011079114-A1 | PTERIDINONES AS INHIBITORS OF POLO - LIKE KINASE | ELAN PHARMACEUTICALS, INC. (US) | 2011-06-30 | — | — | WO | disclosed |