Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD4 | P21917 | 1/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.33 |
| ▸ | MBOAT4 | Q96T53 | 1/20 | 0.32 |
| ▸ | GRM5 | P41594 | 1/20 | 0.32 |
| ▸ | GABRA1 | P14867 | 5/20 | 0.31 |
| ▸ | GABRG2 | P18507 | 5/20 | 0.31 |
| ▸ | GABRB3 | P28472 | 5/20 | 0.31 |
| ▸ | GABRA5 | P31644 | 5/20 | 0.31 |
| ▸ | GABRA3 | P34903 | 5/20 | 0.31 |
| ▸ | GABRA2 | P47869 | 5/20 | 0.31 |
| ▸ | NOS3 | P29474 | 1/20 | 0.31 |
| ▸ | NOS2 | P35228 | 1/20 | 0.31 |
| ▸ | KDM1A | O60341 | 1/20 | 0.31 |
| ▸ | MAOA | P21397 | 1/20 | 0.31 |
| ▸ | MAOB | P27338 | 1/20 | 0.31 |
| ▸ | DPP4 | P27487 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL6825967 | 0.81 | SYK (0.37) | KDM4EALDH1A1MEN1KMT2ASMN1; SMN2 | |
| SCHEMBL6922006 | 0.78 | DRD4 (0.38) | DRD4SIGMAR1GABRA1GABRG2GABRB3 | |
| SCHEMBL6825947 | 0.74 | MMP1 (0.35) | — | |
| SCHEMBL6825996 | 0.71 | CHRM2 (0.42) | DRD4SIGMAR1KDM1AMAOAMAOB | |
| SCHEMBL6822761 | 0.67 | NOS3 (0.45) | MBOAT4GRM5GABRA1GABRG2GABRB3 | |
| SCHEMBL791993 | 0.65 | CCR1 (0.44) | DRD4SIGMAR1MBOAT4GABRA1GABRG2 | |
| SCHEMBL15477559 | 0.62 | CCR1 (0.41) | MBOAT4GRM5GABRA1GABRG2GABRB3 | |
| SCHEMBL6841102 | 0.61 | MEN1 (0.41) | DRD4SIGMAR1MBOAT4GRM5GABRA1 | |
| SCHEMBL13316241 | 0.61 | CCR1 (0.40) | DRD4SIGMAR1MBOAT4GRM5GABRA1 | |
| SCHEMBL29792015 | 0.61 | — | — |
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-2004099185-A1 | 2-CYANOPYRROLIDINE DERIVATIVES AND THEIR USE AS DPP-IV INHIBITORS | FUJISAWA PHARMACEUTICAL CO. LTD. (JP) | 2004-11-18 | — | — | WO | disclosed |