Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ANO1 | Q5XXA6 | 1/20 | 0.40 |
| ▸ | ANO2 | Q9NQ90 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | SMO | Q99835 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | DRD2 | P14416 | 1/20 | 0.37 |
| ▸ | DRD1 | P21728 | 1/20 | 0.37 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.37 |
| ▸ | DPP4 | P27487 | 2/20 | 0.37 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.37 |
| ▸ | DPP9 | Q86TI2 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL13612023 | 0.88 | ALDH1A1 (0.38) | CYP3A4ALDH1A1HTTLMNATSHR | |
| SCHEMBL13611767 | 0.83 | TDP1 (0.38) | CYP3A4CYP2C19ALDH1A1EPHX2DPP4 | |
| SCHEMBL13611864 | 0.79 | DPP4 (0.40) | CYP3A4CYP2C19ALDH1A1MEN1KMT2A | |
| SCHEMBL13611902 | 0.77 | DPP4 (0.46) | SMOEPHX2DPP4DPP8DPP9 | |
| SCHEMBL13612016 | 0.76 | DPP4 (0.44) | MEN1KMT2ADPP4DPP8DPP9 | |
| SCHEMBL13612029 | 0.73 | DPP4 (0.48) | SMOMEN1KMT2ADRD2DPP4 | |
| SCHEMBL13611869 | 0.73 | DPP4 (0.36) | MAPTDPP4DPP8DPP9 | |
| SCHEMBL13612007 | 0.72 | DPP4 (0.35) | CYP3A4CYP2C9CYP2C19DPP4DPP8 | |
| SCHEMBL13308028 | 0.65 | CNR1 (0.77) | ANO1ANO2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL8257313 | 0.64 | DPP4 (0.70) | DPP4DPP8DPP9 |
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-7635699-B2 | Azolopyrimidine-based inhibitors of dipeptidyl peptidase IV and methods | BRISTOL-MYERS SQUIBB COMPANY (US) | 2009-12-22 | — | — | US | disclosed |