Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CTSS | P25774 | 9/20 | 0.36 |
| ▸ | CTSK | P43235 | 8/20 | 0.36 |
| ▸ | CTSL | P07711 | 3/20 | 0.34 |
| ▸ | CTSB | P07858 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 3/20 | 0.33 |
| ▸ | CA2 | P00918 | 3/20 | 0.33 |
| ▸ | CA12 | O43570 | 2/20 | 0.33 |
| ▸ | CA9 | Q16790 | 2/20 | 0.33 |
| ▸ | PPARG | P37231 | 1/20 | 0.33 |
| ▸ | PPARA | Q07869 | 1/20 | 0.33 |
| ▸ | CAPN1 | P07384 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | CA7 | P43166 | 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 | |
|---|---|---|---|---|
| SCHEMBL8582142 | 1.00 | CYP2D6 (0.40) | CYP2D6CTSSCTSKCTSLCTSB | |
| SCHEMBL8581658 | 0.91 | CYP2D6 (0.32) | CYP2D6CYP2C9CYP2C19CA1CA2 | |
| SCHEMBL8578755 | 0.88 | CTSK (0.45) | CTSSCTSKCTSLCTSBCYP1A2 | |
| SCHEMBL7861485 | 0.81 | CYP2D6 (0.45) | CYP2D6CTSSCTSKCTSLCTSB | |
| SCHEMBL8476639 | 0.81 | CYP2D6 (0.45) | CYP2D6CTSSCTSKCTSLCTSB | |
| SCHEMBL8581880 | 0.79 | MEN1 (0.59) | CYP1A2CYP2C9CYP2C19SMN1; SMN2 | |
| SCHEMBL8581453 | 0.76 | MEN1 (0.32) | CYP2C9CYP2C19 | |
| SCHEMBL8580377 | 0.76 | MEN1 (0.32) | CYP2C9CYP2C19 | |
| SCHEMBL8581373 | 0.76 | MEN1 (0.32) | CYP2C9CYP2C19 | |
| SCHEMBL8578751 | 0.76 | CTSS (0.46) | CTSSCTSKCTSLCTSBCYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0641769-B1 | AMINO ACID DERIVATIVE | SANKYO CO (JP) | 1997-01-29 | — | — | EP | disclosed |