Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 1/20 | 0.44 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 3/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.40 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.40 |
| ▸ | RELA | Q04206 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | NOTUM | Q6P988 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | IKBKE | Q14164 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | PGR | P06401 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL9956367 | 0.83 | RAB9A (0.42) | TP53NPC1RAB9ATSHRSMN1; SMN2 | |
| SCHEMBL9955349 | 0.80 | NOTUM (0.39) | ESR2TP53SMN1; SMN2NOTUMPGR | |
| SCHEMBL4511404 | 0.78 | BRD4 (0.38) | PTGS1PTGS2NPC1RAB9ATSHR | |
| SCHEMBL9956239 | 0.77 | PTGS1 (0.51) | ESR2PTGS1PTGS2TP53NPC1 | |
| SCHEMBL5546758 | 0.71 | ALDH1A1 (0.48) | ESR2PTGS1PTGS2TP53NPC1 | |
| SCHEMBL9953638 | 0.71 | NOTUM (0.47) | ESR2PTGS1PTGS2TP53NPC1 | |
| SCHEMBL9954839 | 0.71 | NPC1 (0.45) | ESR2PTGS1PTGS2TP53NPC1 | |
| SCHEMBL4939446 | 0.68 | TDO2 (0.53) | ESR2PTGS1PTGS2TP53NPC1 | |
| SCHEMBL6170416 | 0.68 | PTGS1 (0.60) | PTGS1PTGS2TP53NPC1RAB9A | |
| SCHEMBL9955814 | 0.67 | KMT2A (0.41) | ESR2PTGS1PTGS2TP53NPC1 |
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-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 |