Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.32 |
| ▸ | AHR | P35869 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL7566925 | 0.98 | CYP1A2 (0.32) | CYP1A2LMNACYP2A6 | |
| Hydrochloric Acid SCHEMBL1073650 | 0.78 | ALDH1A1 (0.32) | — | |
| Fluoride SCHEMBL1130347 | 0.78 | ALDH1A1 (0.32) | — | |
| SCHEMBL9065742 | 0.76 | KIF11 (0.39) | LMNA | |
| Hydrochloric Acid SCHEMBL7572285 | 0.74 | KIF11 (0.38) | LMNA | |
| SCHEMBL7202227 | 0.72 | CYP1A2 (0.38) | CYP1A2LMNACYP2A6AHR | |
| Hydrochloric Acid SCHEMBL7566921 | 0.71 | CYP1A2 (0.32) | CYP1A2LMNACYP2A6 | |
| Chlorobenzene SCHEMBL6209168 | 0.65 | TSHR (0.41) | CYP1A2 | |
| SCHEMBL9066357 | 0.65 | DYRK1A (0.44) | CYP1A2CYP2A6 | |
| Hydrochloric Acid SCHEMBL3682863 | 0.64 | — | — |
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-0540108-B1 | Catalyst composition | SHELL INT RESEARCH (NL) | 1996-01-03 | — | — | EP | claimed |