Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 2/20 | 0.47 |
| ▸ | RAB9A | P51151 | 4/20 | 0.47 |
| ▸ | LMNA | P02545 | 3/20 | 0.47 |
| ▸ | NPC1 | O15118 | 3/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.44 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.44 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.41 |
| ▸ | RELA | Q04206 | 1/20 | 0.41 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL9956334 | 0.82 | IMPDH2 (0.56) | NOTUMRAB9ANPC1TSHRALDH1A1 | |
| SCHEMBL9955412 | 0.79 | NOTUM (0.47) | NOTUMMAPK14IMPDH2SMN1; SMN2MAPT | |
| SCHEMBL27422553 | 0.79 | IMPDH2 (0.47) | IMPDH2 | |
| SCHEMBL3441822 | 0.79 | MAP4K4 (0.47) | RAB9ANPC1TSHRALDH1A1IMPDH2 | |
| SCHEMBL472411 | 0.78 | GAA (0.49) | NOTUMRAB9ALMNANPC1TSHR | |
| SCHEMBL343219 | 0.77 | ADORA2A (0.50) | NOTUMRAB9ALMNANPC1TSHR | |
| SCHEMBL472514 | 0.77 | AHR (0.45) | NOTUMRAB9ANPC1MAPK14IMPDH2 | |
| SCHEMBL6747565 | 0.76 | MAPK14 (0.51) | NOTUMMAPK14PTGS1PTGS2HCRTR1 | |
| SCHEMBL1855319 | 0.76 | NOTUM (0.51) | NOTUMRAB9ANPC1ALDH1A1HSD17B10 | |
| SCHEMBL29282141 | 0.76 | GRM5 (0.57) | NOTUMRAB9ANPC1TSHRMAPK14 |
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 |