Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.46 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.38 |
| ▸ | HTR3B | O95264 | 1/20 | 0.38 |
| ▸ | HTR3A | P46098 | 1/20 | 0.38 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.38 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 7/20 | 0.36 |
| ▸ | RAB9A | P51151 | 7/20 | 0.36 |
| ▸ | PKM | P14618 | 4/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.36 |
| ▸ | CTSL | P07711 | 2/20 | 0.36 |
| ▸ | CTSK | P43235 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL10262572 | 0.80 | CYP2D6 (0.36) | HTR3EHTR3BHTR3AHTR3DHTR3C | |
| SCHEMBL23011270 | 0.76 | PARP1 (0.40) | PARP1TP53TDP1HDAC8HDAC6 | |
| SCHEMBL10263312 | 0.71 | PARP1 (0.45) | PARP1HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL23339527 | 0.70 | PARP1 (0.47) | PARP1TP53TDP1HDAC8HDAC6 | |
| SCHEMBL21871110 | 0.69 | PARP1 (0.42) | PARP1TP53TDP1HDAC8HDAC6 | |
| SCHEMBL16952628 | 0.69 | TDP1 (0.52) | PARP1TP53TDP1HDAC8HDAC6 | |
| SCHEMBL12825306 | 0.68 | PARP1 (0.63) | PARP1HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL28395934 | 0.68 | PARP1 (0.41) | PARP1TP53TDP1HDAC8HDAC6 | |
| SCHEMBL23268271 | 0.67 | PARP1 (0.52) | PARP1HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL27355248 | 0.66 | PARP1 (0.61) | PARP1HTR3EHTR3BHTR3AHTR3D |
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 1 patent. 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 |