Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.30 |
| ▸ | HTR2C | P28335 | 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 SCHEMBL27509773 | 0.96 | CYP1A2 (0.30) | CYP1A2CYP2A6HTR2C | |
| Ethylene SCHEMBL6895638 | 0.93 | — | — | |
| Hydrochloric Acid SCHEMBL17698568 | 0.83 | CYP1A2 (0.30) | CYP1A2CYP2A6 | |
| Hydrochloric Acid SCHEMBL5837920 | 0.80 | HTR2C (0.32) | HTR2C | |
| Fluoride Ion SCHEMBL7638699 | 0.79 | — | — | |
| Fluoride Ion SCHEMBL7638711 | 0.79 | GABRA1 (0.34) | — | |
| Hydrochloric Acid SCHEMBL4999816 | 0.78 | ALDH1A1 (0.30) | — | |
| Fluoride Ion SCHEMBL7636064 | 0.78 | PDCD1 (0.34) | CYP2A6 | |
| Hydrochloric Acid SCHEMBL7642648 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL16393559 | 0.77 | HTR2C (0.34) | HTR2C |
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 |
|---|---|---|---|---|---|---|---|
| US-20020143125-A1 | Catalyst component and catalyst system having a high polymerization activity for preparing polymers | KAMINSKY WALTER (DE) | 2002-10-03 | — | — | US | disclosed |
| US-6303718-B1 | PARTICULARLY A CATALYST SYSTEM CONSISTING OF METALLOCENE FLUORIDES AND ALUMINUM ALKYLS | BAYER AKTIENGESELLSCHAFT (DE) | 2001-10-16 | — | — | US | disclosed |