Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | CTSK | P43235 | 8/20 | 0.44 |
| ▸ | CTSS | P25774 | 7/20 | 0.44 |
| ▸ | CTSL | P07711 | 2/20 | 0.44 |
| ▸ | CTSB | P07858 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA7 | P43166 | 1/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | KLK5 | Q9Y337 | 1/20 | 0.37 |
| ▸ | AAK1 | Q2M2I8 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL17913154 | 0.86 | CYP2D6 (0.54) | CYP2D6CTSKCTSSCTSLCTSB | |
| SCHEMBL56754 | 0.84 | CTSS (0.51) | CYP2D6CTSKCTSSCTSLCTSB | |
| SCHEMBL56753 | 0.84 | CTSS (0.51) | CYP2D6CTSKCTSSCTSLCTSB | |
| SCHEMBL4934738 | 0.84 | CTSS (0.51) | CYP2D6CTSKCTSSCTSLCTSB | |
| SCHEMBL6684772 | 0.82 | CA1 (0.49) | CYP2D6CTSKCTSSCTSLCTSB | |
| SCHEMBL14923535 | 0.81 | CA1 (0.53) | CYP2D6CTSKCTSSCTSLCTSB | |
| SCHEMBL19790304 | 0.81 | CA1 (0.53) | CYP2D6CTSKCTSSCTSLCTSB | |
| SCHEMBL2385476 | 0.78 | CTSK (0.49) | CYP2D6CTSKCTSSCTSLCTSB | |
| SCHEMBL4981261 | 0.78 | CTSK (0.49) | CYP2D6CTSKCTSSCTSLCTSB | |
| SCHEMBL344846 | 0.78 | CA1 (0.45) | CYP2D6CTSKCTSSCTSLCTSB |
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-0271829-B1 | DELTA-HYDROXY-BETA-LYSINE DERIVATIVES AND THEIR PRODUCTION | Takeda Chemical Industries, Ltd. (JP) | 1993-08-25 | — | — | EP | disclosed |
| US-4906659-A | Antibiotic tan-749, its derivatives, production and use thereof | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1990-03-06 | — | — | US | disclosed |