Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A1 | P04798 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.40 |
| ▸ | CTSL | P07711 | 1/20 | 0.39 |
| ▸ | CTSS | P25774 | 1/20 | 0.39 |
| ▸ | CTSK | P43235 | 1/20 | 0.39 |
| ▸ | CHKA | P35790 | 1/20 | 0.33 |
| ▸ | MMP2 | P08253 | 1/20 | 0.30 |
| ▸ | MMP3 | P08254 | 1/20 | 0.30 |
| ▸ | MMP9 | P14780 | 1/20 | 0.30 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9335264 | 0.98 | CYP1A1 (0.42) | CYP1A1CYP1A2CYP1B1CTSLCTSS | |
| SCHEMBL9337477 | 0.90 | CYP1A1 (0.37) | CYP1A1CYP1A2CYP1B1CTSLCTSS | |
| SCHEMBL9334032 | 0.90 | CYP1A1 (0.40) | CYP1A1CYP1A2CYP1B1CTSLCTSS | |
| SCHEMBL9335371 | 0.89 | CYP1A1 (0.39) | CYP1A1CYP1A2CYP1B1CTSLCTSS | |
| SCHEMBL9335289 | 0.88 | TSHR (0.40) | CYP1A1CYP1A2CYP1B1CTSLCTSS | |
| SCHEMBL9335290 | 0.86 | CYP1A1 (0.41) | CYP1A1CYP1A2CYP1B1 | |
| SCHEMBL9334142 | 0.86 | GRM5 (0.38) | CTSLCTSSCTSK | |
| SCHEMBL9333995 | 0.85 | CTSL (0.38) | CTSLCTSSCTSKCHKA | |
| SCHEMBL9334041 | 0.85 | CTSL (0.38) | CTSLCTSSCTSKCHKA | |
| SCHEMBL9333793 | 0.85 | CTSL (0.37) | CTSLCTSSCTSK |
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 |
|---|---|---|---|---|---|---|---|
| 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 |