Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 1/20 | 0.47 |
| ▸ | MTNR1A | P48039 | 5/20 | 0.43 |
| ▸ | MTNR1B | P49286 | 5/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.37 |
| ▸ | HSPA5 | P11021 | 1/20 | 0.36 |
| ▸ | KDM1A | O60341 | 1/20 | 0.35 |
| ▸ | IDO1 | P14902 | 2/20 | 0.35 |
| ▸ | RORC | P51449 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL29852860 | 0.92 | AKR1B1 (0.55) | AKR1B1MTNR1AMTNR1BL3MBTL1HSPA5 | |
| SCHEMBL5370276 | 0.92 | AKR1B1 (0.55) | AKR1B1MTNR1AMTNR1BL3MBTL1HSPA5 | |
| SCHEMBL9863289 | 0.82 | MTNR1A (0.52) | MTNR1AMTNR1BL3MBTL1RORC | |
| SCHEMBL2821947 | 0.76 | CYP4F2 (0.47) | AKR1B1HSPA5 | |
| SCHEMBL29349625 | 0.76 | AKR1B1 (0.65) | AKR1B1HSPA5IDO1 | |
| SCHEMBL2228365 | 0.76 | AKR1B1 (0.65) | AKR1B1HSPA5IDO1 | |
| SCHEMBL12318344 | 0.76 | MTNR1A (0.48) | MTNR1AMTNR1BL3MBTL1 | |
| SCHEMBL5725933 | 0.75 | MTNR1A (0.45) | MTNR1AMTNR1BL3MBTL1RORC | |
| SCHEMBL23241571 | 0.74 | MTNR1A (0.51) | MTNR1AMTNR1BL3MBTL1IDO1RORC | |
| SCHEMBL16940009 | 0.74 | MTNR1A (0.47) | MTNR1AMTNR1BL3MBTL1RORC |
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-2005023762-A1 | PYRROLIDINE-2-CARBONITRILE DERIVATIVES AND THEIR USE AS INHIBITORS OF DIPEPTIDYL PEPTIDASE-IV (DPP-IV) | ABBOTT LABORATORIES (US) | 2005-03-17 | — | — | WO | disclosed |