Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.46 |
| ▸ | HTR7 | P34969 | 1/20 | 0.46 |
| ▸ | BRD4 | O60885 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 7/20 | 0.43 |
| ▸ | NPC1 | O15118 | 6/20 | 0.43 |
| ▸ | CASP3 | P42574 | 3/20 | 0.43 |
| ▸ | SENP7 | Q9BQF6 | 3/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.42 |
| ▸ | SENP8 | Q96LD8 | 2/20 | 0.42 |
| ▸ | SENP6 | Q9GZR1 | 2/20 | 0.42 |
| ▸ | PLK1 | P53350 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 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 | |
|---|---|---|---|---|
| SCHEMBL21752799 | 0.85 | GPBAR1 (0.48) | GPBAR1HTR7BRD4PTGS1PTGS2 | |
| SCHEMBL195456 | 0.83 | PTGS2 (0.58) | BRD4POLBPTGS1PTGS2PLK1 | |
| SCHEMBL9954345 | 0.80 | BRD4 (0.44) | GPBAR1HTR7BRD4RAB9ANPC1 | |
| SCHEMBL10262565 | 0.78 | HTR7 (0.51) | GPBAR1HTR7RAB9ANPC1CASP3 | |
| SCHEMBL6096442 | 0.76 | MAPK1 (0.43) | BRD4RAB9ANPC1PTGS1PTGS2 | |
| SCHEMBL286321 | 0.74 | PTGS2 (0.55) | GPBAR1BRD4PTGS1PTGS2PLK1 | |
| SCHEMBL9955391 | 0.74 | MAPK14 (0.43) | HTR7RAB9ANPC1 | |
| SCHEMBL4333884 | 0.74 | GPBAR1 (0.60) | GPBAR1POLBSMN1; SMN2TSHRMAPK1 | |
| SCHEMBL25163610 | 0.73 | HTR7 (0.47) | GPBAR1HTR7BRD4RAB9ANPC1 | |
| SCHEMBL8315811 | 0.73 | TSHR (0.57) | GPBAR1PTGS2SMN1; SMN2TSHRTDP1 |
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 |