Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 4/20 | 0.42 |
| ▸ | MAPT | P10636 | 3/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.42 |
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | PTK2B | Q14289 | 1/20 | 0.41 |
| ▸ | PLK1 | P53350 | 1/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 7/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.41 |
| ▸ | HTR1D | P28221 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL286321 | 0.86 | PTGS2 (0.55) | BRD4GPBAR1KMT2APLK1PTGS2 | |
| SCHEMBL195456 | 0.86 | PTGS2 (0.58) | BRD4MAPTNPSR1ALDH1A1PKM | |
| SCHEMBL6096442 | 0.84 | MAPK1 (0.43) | BRD4RAB9AMAPTKDM4EALDH1A1 | |
| SCHEMBL9193604 | 0.80 | PTGS2 (0.40) | RAB9AMAPTNPSR1KDM4EALDH1A1 | |
| SCHEMBL9956465 | 0.80 | GPBAR1 (0.46) | BRD4RAB9AGPBAR1MEN1KMT2A | |
| SCHEMBL10262365 | 0.75 | PTGS2 (0.47) | RAB9AMAPTNPSR1KDM4EALDH1A1 | |
| SCHEMBL21752799 | 0.74 | GPBAR1 (0.48) | BRD4ALDH1A1GPBAR1PLK1PTGS2 | |
| SCHEMBL18597726 | 0.71 | POLB (0.51) | BRD4RAB9AMAPTKDM4EALDH1A1 | |
| SCHEMBL8315811 | 0.71 | TSHR (0.57) | MAPTNPSR1KDM4EALDH1A1GPBAR1 | |
| SCHEMBL6093654 | 0.71 | PTGS2 (0.53) | BRD4MAPTNPSR1ALDH1A1PKM |
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-2012085857-A1 | 3,8-DIAZA-BICYCLO[4.2.0]OCT-3-YL AMIDES | ACTELION PHARMACEUTICALS LTD (CH) | 2012-06-28 | — | — | WO | disclosed |