Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.33 |
| ▸ | MAPT | P10636 | 3/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.33 |
| ▸ | MEN1 | O00255 | 3/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.33 |
| ▸ | NPC1 | O15118 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | PRNP | P04156 | 1/20 | 0.31 |
| ▸ | USP2 | O75604 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | ACHE | P22303 | 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 | |
|---|---|---|---|---|
| SCHEMBL7038180 | 0.84 | PARP1 (0.33) | PARP1SMN1; SMN2MAPTKDM4EMEN1 | |
| SCHEMBL4273339 | 0.78 | ACHE (0.50) | MAPTKDM4EALDH1A1KMT2ALMNA | |
| SCHEMBL2301300 | 0.76 | MAPT (0.33) | PARP1MAPTKDM4EMEN1ALDH1A1 | |
| SCHEMBL2441132 | 0.76 | NR4A2 (0.35) | PARP1SMN1; SMN2MAPTKDM4EMEN1 | |
| SCHEMBL9956541 | 0.76 | — | — | |
| SCHEMBL9479911 | 0.73 | NQO2 (0.50) | SMN1; SMN2MAPTKDM4EMEN1ALDH1A1 | |
| SCHEMBL12502833 | 0.70 | KDM4E (0.54) | PARP1SMN1; SMN2MAPTKDM4EMEN1 | |
| SCHEMBL1973 | 0.69 | MAPT (0.36) | MAPTKDM4EALDH1A1GAAHPGD | |
| SCHEMBL1671574 | 0.66 | — | — | |
| SCHEMBL2517163 | 0.65 | CYP3A4 (0.44) | SMN1; SMN2MAPTKDM4EMEN1ALDH1A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2013050938-A1 | 3,7-DIAZABICYCLO[3.3.1]NONANE AND 9-OXA-3,7-DIAZABICYCLO[3.3.1]NONANE DERIVATIVES | ACTELION PHARMACEUTICALS LTD (CH) | 2013-04-11 | — | — | 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 |