Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | ADH1C | P00326 | 2/20 | 0.37 |
| ▸ | ADH1A | P07327 | 2/20 | 0.37 |
| ▸ | ADH1B | P00325 | 1/20 | 0.37 |
| ▸ | ADH4 | P08319 | 1/20 | 0.37 |
| ▸ | ADH7 | P40394 | 1/20 | 0.37 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.35 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.35 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.35 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 1/20 | 0.34 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.33 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.31 |
| ▸ | NOS1 | P29475 | 1/20 | 0.31 |
| ▸ | NOS2 | P35228 | 1/20 | 0.31 |
| ▸ | SHBG | P04278 | 1/20 | 0.31 |
| ▸ | HTR3A | P46098 | 1/20 | 0.30 |
| ▸ | HRH4 | Q9H3N8 | 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 | |
|---|---|---|---|---|
| SCHEMBL13599864 | 0.97 | CYP1A2 (0.36) | CYP1A2ADH1CADH1AADH1BADH4 | |
| SCHEMBL13599862 | 0.97 | CYP1A2 (0.42) | CYP1A2ADH1CADH1AADH1BADH4 | |
| SCHEMBL10356856 | 0.97 | CYP1A2 (0.42) | CYP1A2ADH1CADH1AADH1BADH4 | |
| SCHEMBL13599865 | 0.94 | CYP1A2 (0.40) | CYP1A2ADH1CADH1AADH1BADH4 | |
| SCHEMBL13599858 | 0.94 | CYP1A2 (0.32) | CYP1A2 | |
| SCHEMBL13599861 | 0.91 | CYP1A2 (0.31) | CYP1A2 | |
| SCHEMBL3895538 | 0.82 | CYP1A2 (0.40) | CYP1A2ADH1CADH1AADH1BADH4 | |
| SCHEMBL3651570 | 0.81 | SIGMAR1 (0.38) | CYP1A2CHRM5ADRA2CCHRM2CHRM4 | |
| Hydrochloric Acid SCHEMBL3505547 | 0.79 | SIGMAR1 (0.37) | CYP1A2CHRM5ADRA2CCHRM2CHRM4 | |
| SCHEMBL5408352 | 0.79 | CYP1A2 (0.36) | CYP1A2CHRM5ADRA2CCHRM2CHRM4 |
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 |
|---|---|---|---|---|---|---|---|
| US-7638585-B2 | Catalyst flow | BASF CATALYSTS, LLC (US) | 2009-12-29 | — | — | US | disclosed |
| US-20090286942-A1 | CATALYST FLOW | BASF CATALYSTS LLC (US) | 2009-11-19 | — | — | US | disclosed |
| US-20090171044-A1 | MOLAR RATIO MODIFICATIONS TO LARGER POLYOLEFIN CATALYSTS | BASF CATALYSTS LLC (US) | 2009-07-02 | — | — | US | disclosed |