Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | DPP4 | P27487 | 2/20 | 0.38 |
| ▸ | DPP8 | Q6V1X1 | 2/20 | 0.38 |
| ▸ | DPP9 | Q86TI2 | 2/20 | 0.38 |
| ▸ | DPP7 | Q9UHL4 | 2/20 | 0.38 |
| ▸ | FAP | Q12884 | 1/20 | 0.38 |
| ▸ | MMP1 | P03956 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA7 | P43166 | 1/20 | 0.35 |
| ▸ | BIRC2 | Q13490 | 3/20 | 0.35 |
| ▸ | CTSK | P43235 | 3/20 | 0.33 |
| ▸ | CTSS | P25774 | 2/20 | 0.33 |
| ▸ | KLK5 | Q9Y337 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.33 |
| ▸ | CTSL | P07711 | 1/20 | 0.32 |
| ▸ | CTSB | P07858 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL14598429 | 1.00 | CYP2D6 (0.43) | CYP2D6DPP4DPP8DPP9DPP7 | |
| SCHEMBL12774554 | 0.85 | CYP2D6 (0.44) | CYP2D6MMP1CA1CA2CA7 | |
| SCHEMBL27183203 | 0.82 | CYP2D6 (0.37) | CYP2D6MMP1BIRC2CTSKCTSS | |
| SCHEMBL30861159 | 0.81 | CYP2D6 (0.39) | CYP2D6MMP1CA1CA2CA7 | |
| SCHEMBL15075041 | 0.79 | CYP2D6 (0.54) | CYP2D6CA1CA2CA7CTSK | |
| SCHEMBL19327492 | 0.78 | CYP2D6 (0.40) | CYP2D6CA1CA2BIRC2KLK5 | |
| SCHEMBL19327491 | 0.78 | CYP2D6 (0.40) | CYP2D6CA1CA2BIRC2KLK5 | |
| SCHEMBL30153240 | 0.77 | BACE1 (0.42) | CYP2D6CTSKCTSSCTSD | |
| SCHEMBL22209522 | 0.77 | MME (0.47) | DPP4DPP8DPP9DPP7FAP | |
| SCHEMBL18620679 | 0.77 | MME (0.47) | DPP4DPP8DPP9DPP7FAP |
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 |
|---|---|---|---|---|---|---|---|
| EP-0932598-A1 | ASPARTATE ESTER INHIBITORS OF INTERLEUKIN-1$g(b) CONVERTING ENZYME | WARNER-LAMBERT COMPANY (US) | 1999-08-04 | — | — | EP | disclosed |
| WO-1998016502-A1 | ASPARTATE ESTER INHIBITORS OF INTERLEUKIN-1β CONVERTING ENZYME | WARNER-LAMBERT COMPANY (US) | 1998-04-23 | — | — | WO | disclosed |