Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCRTR1 | O43613 | 7/20 | 0.40 |
| ▸ | ACKR3 | P25106 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 3/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL496214 | 1.00 | HCRTR1 (0.40) | HCRTR1ACKR3TP53LMNAKDM4E | |
| SCHEMBL496277 | 0.87 | TP53 (0.39) | ACKR3TP53 | |
| SCHEMBL3641229 | 0.84 | ACKR3 (0.40) | HCRTR1ACKR3KDM4EPKM | |
| SCHEMBL496412 | 0.83 | HCRTR1 (0.43) | HCRTR1ACKR3KDM4EPKM | |
| SCHEMBL2446757 | 0.83 | HCRTR1 (0.43) | HCRTR1ACKR3KDM4EPKM | |
| SCHEMBL3677156 | 0.81 | HCRTR1 (0.40) | HCRTR1ACKR3KDM4EPKM | |
| SCHEMBL496001 | 0.75 | HCRTR1 (0.61) | HCRTR1 | |
| SCHEMBL496187 | 0.74 | KMT2A (0.41) | ACKR3LMNAKDM4EPKM | |
| SCHEMBL496121 | 0.74 | HTR4 (0.48) | HCRTR1 | |
| SCHEMBL2441649 | 0.74 | HTR4 (0.48) | HCRTR1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2164847-B1 | 3-AZA-BICYCLO[3.3.0]OCTANE COMPOUNDS | ACTELION PHARMACEUTICALS LTD (CH) | 2011-09-14 | — | — | EP | disclosed |