Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.30 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.30 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
| ▸ | CYP11B2 | P19099 | 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 | |
|---|---|---|---|---|
| SCHEMBL9954818 | 0.85 | ALDH1A1 (0.41) | ALDH1A1NPC1CYP11B2 | |
| SCHEMBL2822669 | 0.81 | ALDH1A1 (0.43) | ALDH1A1PIK3CA | |
| SCHEMBL26919119 | 0.81 | ALDH1A1 (0.39) | ALDH1A1 | |
| SCHEMBL21638316 | 0.77 | CES2 (0.32) | CYP11B2 | |
| SCHEMBL9956530 | 0.77 | NPC1 (0.42) | ALDH1A1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL1805978 | 0.74 | TDP1 (0.41) | — | |
| SCHEMBL21494203 | 0.73 | EGFR (0.33) | SMN1; SMN2 | |
| SCHEMBL9078265 | 0.72 | ALDH1A1 (0.39) | ALDH1A1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL1258994 | 0.71 | ALDH1A1 (0.63) | ALDH1A1CYP11B2 | |
| SCHEMBL30775085 | 0.71 | ALDH1A1 (0.63) | ALDH1A1CYP11B2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012085852-A1 | 3,8-DIAZA-BICYCLO[4.2.0]OCT-8-YL AMIDES | ACTELION PHARMACEUTICALS LTD (CH) | 2012-06-28 | — | — | WO | disclosed |
| WO-2012085852-A1 | 3,8-DIAZA-BICYCLO[4.2.0]OCT-8-YL AMIDES | ACTELION PHARMACEUTICALS LTD (CH) | 2012-06-28 | — | — | WO | disclosed |
| WO-2012085857-A1 | 3,8-DIAZA-BICYCLO[4.2.0]OCT-3-YL AMIDES | ACTELION PHARMACEUTICALS LTD (CH) | 2012-06-28 | — | — | WO | disclosed |
| WO-2012085857-A1 | 3,8-DIAZA-BICYCLO[4.2.0]OCT-3-YL AMIDES | ACTELION PHARMACEUTICALS LTD (CH) | 2012-06-28 | — | — | WO | disclosed |