Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 3/20 | 0.45 |
| ▸ | RAB9A | P51151 | 3/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.45 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.45 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.45 |
| ▸ | TDO2 | P48775 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.43 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.43 |
| ▸ | RELA | Q04206 | 1/20 | 0.43 |
| ▸ | DYRK3 | O43781 | 1/20 | 0.43 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL334247 | 0.84 | KDR (0.52) | KDRLOXL2 | |
| SCHEMBL24038907 | 0.84 | HDAC1 (0.47) | NPC1RAB9ASMN1; SMN2POLBHDAC1 | |
| SCHEMBL9954919 | 0.82 | HSD17B1 (0.51) | ALDH1A1L3MBTL1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL1764602 | 0.82 | RAB9A (0.47) | NPC1RAB9ASMN1; SMN2POLBHDAC1 | |
| SCHEMBL29389381 | 0.82 | CSNK2A1 (0.49) | ALDH1A1NPC1RAB9ASMN1; SMN2POLB | |
| SCHEMBL9955397 | 0.82 | HSD17B1 (0.47) | CYP3A4CYP2C9HSD17B1HSD17B2IDO1 | |
| SCHEMBL3176189 | 0.82 | MEN1 (0.44) | ALDH1A1NPC1RAB9ASMN1; SMN2CYP3A4 | |
| SCHEMBL2406426 | 0.82 | CSNK2A1 (0.49) | ALDH1A1NPC1RAB9ASMN1; SMN2POLB | |
| SCHEMBL23603567 | 0.80 | NPC1 (0.44) | NPC1RAB9ASMN1; SMN2POLBHDAC1 | |
| SCHEMBL30909997 | 0.76 | NPC1 (0.48) | ALDH1A1NPC1RAB9ASMN1; SMN2POLB |
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-2012085857-A1 | 3,8-DIAZA-BICYCLO[4.2.0]OCT-3-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-2012085852-A1 | 3,8-DIAZA-BICYCLO[4.2.0]OCT-8-YL AMIDES | ACTELION PHARMACEUTICALS LTD (CH) | 2012-06-28 | — | — | WO | disclosed |