Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 4/20 | 0.51 |
| ▸ | CA2 | P00918 | 4/20 | 0.51 |
| ▸ | CA7 | P43166 | 2/20 | 0.51 |
| ▸ | CTSK | P43235 | 9/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 3/20 | 0.39 |
| ▸ | CA4 | P22748 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | CTSS | P25774 | 4/20 | 0.38 |
| ▸ | CA12 | O43570 | 2/20 | 0.38 |
| ▸ | KLK5 | Q9Y337 | 1/20 | 0.36 |
| ▸ | CTSL | P07711 | 1/20 | 0.36 |
| ▸ | CTSB | P07858 | 1/20 | 0.36 |
| ▸ | PREP | P48147 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL6076887 | 0.88 | CA1 (0.48) | CA1CA2CA7CTSKCYP2D6 | |
| SCHEMBL6405983 | 0.85 | CA1 (0.46) | CA1CA2CA7CTSKCYP2D6 | |
| SCHEMBL6608157 | 0.82 | SMN1; SMN2 (0.44) | CA1CA2CA7CTSKCYP2D6 | |
| SCHEMBL6983670 | 0.82 | SMN1; SMN2 (0.44) | CA1CA2CA7CTSKCYP2D6 | |
| SCHEMBL6400709 | 0.81 | SYK (0.40) | CA1CA2CA7CTSKCYP2D6 | |
| SCHEMBL30175074 | 0.80 | CA1 (0.39) | CA1CA2CA7CTSKCYP2D6 | |
| SCHEMBL6605636 | 0.80 | AAK1 (0.49) | CA1CA2CA7CTSKCYP2D6 | |
| SCHEMBL6400733 | 0.80 | CTSK (0.44) | CA1CA2CA7CTSKCYP1A2 | |
| SCHEMBL2010010 | 0.77 | CYP1A2 (0.39) | CA1CA2CA7CTSKCYP2D6 | |
| SCHEMBL29436067 | 0.73 | GAA (0.45) | CTSKCTSSCTSL |
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-4313156-A1 | DISULFIDE-BASED PRODRUG COMPOUNDS | Ludwig-Maximilians-Universität München (DE) | 2024-02-07 | — | — | EP | disclosed |
| WO-2022200347-A1 | DISULFIDE-BASED PRODRUG COMPOUNDS | LUDWIG-MAXIMILIANS-UNIVERSITÄT MÜNCHEN (DE) | 2022-09-29 | — | — | WO | disclosed |