Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DPP4 | P27487 | 2/20 | 0.55 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.50 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.50 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.47 |
| ▸ | LOXL2 | Q9Y4K0 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.44 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.42 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.41 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.41 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.41 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.41 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.41 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.41 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8867023 | 0.90 | SLC6A2 (0.66) | DPP4SLC6A2SLC6A4SLC6A3CYP1A2 | |
| SCHEMBL1157043 | 0.90 | SLC6A4 (0.60) | DPP4SLC6A2SLC6A4SLC6A3CYP2C19 | |
| Hydrochloric Acid SCHEMBL9322527 | 0.88 | SLC6A4 (0.58) | DPP4SLC6A2SLC6A4SLC6A3CYP2D6 | |
| Hydrochloric Acid SCHEMBL9322405 | 0.88 | SLC6A4 (0.58) | DPP4SLC6A2SLC6A4SLC6A3CYP2D6 | |
| Hydrochloric Acid SCHEMBL9321422 | 0.88 | SLC6A2 (0.63) | DPP4SLC6A2SLC6A4SLC6A3CYP1A2 | |
| SCHEMBL3281009 | 0.78 | DPP4 (0.64) | DPP4SLC6A2SLC6A4SLC6A3CYP2C19 | |
| SCHEMBL20473308 | 0.78 | PNMT (0.54) | DPP4SLC6A2SLC6A4SLC6A3CYP2C19 | |
| SCHEMBL1157274 | 0.77 | PNMT (0.45) | DPP4SLC6A2SLC6A4SLC6A3CYP2C19 | |
| SCHEMBL12672176 | 0.77 | SLC6A4 (0.42) | DPP4SLC6A2SLC6A4SLC6A3CYP2C19 | |
| SCHEMBL3282252 | 0.77 | NOS1 (0.43) | DPP4SLC6A2SLC6A4SLC6A3CYP2C19 |
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-5324493-A | Using 1,2-bis/4-pyridyl/ ethane as template | BASF AKTIENGESELLSCHAFT (DE) | 1994-06-28 | — | — | US | disclosed |