Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.66 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.46 |
| ▸ | DRD2 | P14416 | 3/20 | 0.41 |
| ▸ | HTR2A | P28223 | 3/20 | 0.41 |
| ▸ | HTR7 | P34969 | 3/20 | 0.41 |
| ▸ | HTR6 | P50406 | 3/20 | 0.41 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | PIM1 | P11309 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL4283752 | 0.98 | CYP1A2 (0.62) | CYP1A2ADRA2ADRD2HTR2AHTR7 | |
| Hydrochloric Acid SCHEMBL1849123 | 0.96 | CYP1A2 (0.60) | CYP1A2ADRA2ADRD2HTR2AHTR7 | |
| SCHEMBL27880510 | 0.91 | — | — | |
| SCHEMBL13740770 | 0.91 | — | — | |
| SCHEMBL1383962 | 0.91 | — | — | |
| Hydrochloric Acid SCHEMBL499369 | 0.89 | CYP1A2 (0.52) | CYP1A2ADRA2ADRD2HTR2AHTR7 | |
| Hydrochloric Acid SCHEMBL4061881 | 0.89 | CYP1A2 (0.52) | CYP1A2ADRA2ADRD2HTR2AHTR7 | |
| SCHEMBL28544210 | 0.86 | CYP1A2 (0.58) | CYP1A2ADRA2ADRD2HTR2AHTR7 | |
| SCHEMBL2017584 | 0.80 | CYP1A2 (0.67) | CYP1A2ADRA2ADRD2HTR2AHTR7 | |
| SCHEMBL28861686 | 0.80 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1517915-A2 | PRODRUGS OF EXCITATORY AMINO ACIDS | ELI LILLY AND COMPANY (US) | 2005-03-30 | — | — | EP | disclosed |
| WO-2003104217-A2 | PRODRUGS OF EXCITATORY AMINO ACIDS | ELI LILLY AND COMPANY (US) | 2003-12-18 | — | — | WO | disclosed |