Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DPP4 | P27487 | 1/20 | 0.43 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.43 |
| ▸ | SHBG | P04278 | 1/20 | 0.34 |
| ▸ | IDO1 | P14902 | 1/20 | 0.33 |
| ▸ | TDO2 | P48775 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL21963509 | 1.00 | DPP4 (0.43) | DPP4DPP7SHBGIDO1TDO2 | |
| SCHEMBL25960791 | 0.80 | SHBG (0.31) | SHBG | |
| SCHEMBL21285266 | 0.79 | DPP4 (0.47) | DPP4DPP7IDO1TDO2 | |
| SCHEMBL21238548 | 0.79 | DPP4 (0.47) | DPP4DPP7IDO1TDO2 | |
| SCHEMBL255296 | 0.79 | DPP4 (0.47) | DPP4DPP7IDO1TDO2 | |
| SCHEMBL21963510 | 0.79 | DPP4 (0.47) | DPP4DPP7IDO1TDO2 | |
| SCHEMBL21238550 | 0.79 | DPP4 (0.47) | DPP4DPP7IDO1TDO2 | |
| SCHEMBL21961178 | 0.79 | DPP4 (0.47) | DPP4DPP7IDO1TDO2 | |
| SCHEMBL22924643 | 0.78 | — | — | |
| SCHEMBL1193094 | 0.76 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-9611274-B2 | Macrocycles as factor XIa inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2017-04-04 | — | — | US | disclosed |