Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSL | P07711 | 1/20 | 0.40 |
| ▸ | CTSS | P25774 | 1/20 | 0.40 |
| ▸ | CTSK | P43235 | 1/20 | 0.40 |
| ▸ | CHKA | P35790 | 1/20 | 0.34 |
| ▸ | KCNA3 | P22001 | 3/20 | 0.33 |
| ▸ | TNNC1 | P63316 | 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 | |
|---|---|---|---|---|
| SCHEMBL8988009 | 1.00 | CTSL (0.40) | CTSLCTSSCTSKCHKAKCNA3 | |
| SCHEMBL10091133 | 0.83 | CTSL (0.47) | CTSLCTSSCTSKCHKA | |
| SCHEMBL18219772 | 0.81 | KCNA3 (0.32) | KCNA3TNNC1 | |
| SCHEMBL17016786 | 0.80 | TNNC1 (0.40) | CTSLCTSSCTSKCHKATNNC1 | |
| SCHEMBL10301661 | 0.78 | CTSL (0.41) | CTSLCTSSCTSKCHKAKCNA3 | |
| SCHEMBL10301658 | 0.78 | CTSL (0.41) | CTSLCTSSCTSKCHKAKCNA3 | |
| SCHEMBL18221304 | 0.78 | NFE2L2 (0.38) | — | |
| SCHEMBL10301664 | 0.77 | CTSL (0.38) | CTSLCTSSCTSKCHKAKCNA3 | |
| SCHEMBL9495316 | 0.77 | CTSL (0.43) | CTSLCTSSCTSKCHKA | |
| SCHEMBL21919573 | 0.77 | CTSL (0.43) | CTSLCTSSCTSKCHKA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0501268-B1 | Liquid crystal compounds ending with a 1-alkinyl group | HOFFMANN LA ROCHE (CH) | 1996-06-12 | — | — | EP | disclosed |
| US-5328637-A | Electrooptical devices; deformation of aligned phases and supertwisted nematic applications; miscibility, solubility | HOFFMANN-LA ROCHE INC. (US) | 1994-07-12 | — | — | US | disclosed |
| EP-0501268-A2 | Liquid crystal compounds ending with a 1-alkinyl group | F. HOFFMANN-LA ROCHE AG (CH) | 1992-09-02 | — | — | EP | disclosed |