Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DPP4 | P27487 | 18/20 | 0.72 |
| ▸ | JAK3 | P52333 | 1/20 | 0.46 |
| ▸ | BTK | Q06187 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | RET | P07949 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL28507242 | 0.85 | DPP4 (0.68) | DPP4CYP1A2CYP3A4CYP2D6RET | |
| SCHEMBL28069573 | 0.85 | DPP4 (0.68) | DPP4CYP1A2CYP3A4CYP2D6RET | |
| SCHEMBL12687228 | 0.84 | DPP4 (1.00) | DPP4CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL2022446 | 0.81 | DPP4 (0.69) | DPP4RET | |
| SCHEMBL2022448 | 0.81 | DPP4 (0.69) | DPP4RET | |
| SCHEMBL28324302 | 0.81 | DPP4 (0.69) | DPP4JAK3BTKRET | |
| SCHEMBL3964925 | 0.80 | DPP4 (0.74) | DPP4 | |
| SCHEMBL18851350 | 0.79 | DPP4 (0.67) | DPP4JAK3BTKRET | |
| SCHEMBL28324224 | 0.79 | DPP4 (0.67) | DPP4JAK3BTKRET | |
| SCHEMBL18851701 | 0.79 | DPP4 (0.68) | DPP4JAK3BTKRET |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8907086-B2 | Fused bicyclic heterocycles useful as dipeptidyl peptidase-IV inhibitors | MERCK SHARP & DOHME CORP. (US) | 2014-12-09 | — | — | US | disclosed |
| US-8907086-B2 | Fused bicyclic heterocycles useful as dipeptidyl peptidase-IV inhibitors | MERCK SHARP & DOHME CORP. (US) | 2014-12-09 | — | — | US | disclosed |