Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 2/20 | 0.47 |
| ▸ | CTSK | P43235 | 2/20 | 0.47 |
| ▸ | CA2 | P00918 | 3/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | CTSL | P07711 | 1/20 | 0.37 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.36 |
| ▸ | IDO1 | P14902 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA7 | P43166 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL7301432 | 1.00 | CTSS (0.47) | CTSSCTSKCA2KMT2AKDM4E | |
| SCHEMBL6741998 | 0.88 | CTSK (0.42) | CTSSCTSKCA2KMT2AKDM4E | |
| SCHEMBL14609262 | 0.84 | CTSK (0.44) | CTSSCTSKCA2KMT2AKDM4E | |
| SCHEMBL28499087 | 0.82 | EPHX2 (0.39) | CA2KMT2AKDM4EHPGDCTSL | |
| SCHEMBL13802748 | 0.81 | CTSS (0.49) | CTSSCTSKCA2KMT2AKDM4E | |
| SCHEMBL13802743 | 0.81 | CTSS (0.49) | CTSSCTSKCA2KMT2AKDM4E | |
| SCHEMBL9186813 | 0.77 | CTSS (0.46) | CTSSCTSKCA2KMT2AKDM4E | |
| SCHEMBL8260647 | 0.77 | CTSS (0.56) | CTSSCTSKCA2KMT2AKDM4E | |
| SCHEMBL4951326 | 0.75 | CTSK (0.53) | CTSSCTSKCA2KMT2APSENEN | |
| SCHEMBL18197901 | 0.74 | CTSK (0.62) | CTSSCTSKCA2KDM4EHTT |
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-0528661-A2 | HIV protease inhibitors with N-terminal polyether substituents | MERCK & CO. INC. (US) | 1993-02-24 | — | — | EP | disclosed |