Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.58 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.45 |
| ▸ | DRD2 | P14416 | 2/20 | 0.40 |
| ▸ | HTR2A | P28223 | 2/20 | 0.40 |
| ▸ | HTR7 | P34969 | 2/20 | 0.40 |
| ▸ | HTR6 | P50406 | 2/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.38 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.38 |
| ▸ | S1PR5 | Q9H228 | 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 | |
|---|---|---|---|---|
| SCHEMBL11195670 | 0.94 | CYP1A2 (0.50) | CYP1A2ALDH1A1 | |
| Hydrochloric Acid SCHEMBL25364474 | 0.92 | CYP1A2 (0.48) | CYP1A2ALDH1A1 | |
| SCHEMBL4283752 | 0.88 | CYP1A2 (0.62) | CYP1A2ADRA2ADRD2HTR2AHTR7 | |
| SCHEMBL2017584 | 0.87 | CYP1A2 (0.67) | CYP1A2ADRA2ADRD2HTR2AHTR7 | |
| Hydrochloric Acid SCHEMBL1849123 | 0.86 | CYP1A2 (0.60) | CYP1A2ADRA2ADRD2HTR2AHTR7 | |
| SCHEMBL6447488 | 0.86 | CYP1A2 (0.66) | CYP1A2ADRA2ADRD2HTR2AHTR7 | |
| SCHEMBL15508580 | 0.82 | CYP1A2 (0.60) | CYP1A2ADRA2ADRD2HTR2AHTR7 | |
| SCHEMBL13740770 | 0.81 | — | — | |
| SCHEMBL1383962 | 0.81 | — | — | |
| SCHEMBL27880510 | 0.81 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-109384982-B | Modified conjugated diene polymer composition and tire | 旭化成株式会社 | 2020-11-17 | — | — | CN | disclosed |