Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.41 |
| ▸ | HTR2C | P28335 | 5/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | IDO1 | P14902 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | HHAT | Q5VTY9 | 1/20 | 0.33 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.33 |
| ▸ | SLC25A5 | P05141 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL19976028 | 0.84 | CYP1A2 (0.42) | CYP1A2HTR2CMAPTTSHRSIGMAR1 | |
| SCHEMBL17540282 | 0.82 | PRSS1 (0.50) | CYP1A2HTR2CMAPTTSHRCYP3A4 | |
| SCHEMBL19976023 | 0.82 | TSHR (0.48) | CYP1A2HTR2CMAPTTSHRCYP3A4 | |
| SCHEMBL17540291 | 0.81 | CYP1A2 (0.36) | CYP1A2HTR2CMAPTIDO1SIGMAR1 | |
| SCHEMBL17400432 | 0.79 | HTR2C (0.47) | CYP1A2HTR2CSIGMAR1CYP2D6 | |
| SCHEMBL17400444 | 0.78 | ALDH1A1 (0.46) | MAPTALDH1A1 | |
| SCHEMBL21978272 | 0.77 | GLA (0.48) | HTR2CMAPTSIGMAR1CYP3A4CYP2C9 | |
| SCHEMBL17400434 | 0.73 | ALDH1A1 (0.47) | MAPTSIGMAR1CYP2D6FFAR1POLB | |
| SCHEMBL30978693 | 0.72 | TP53 (0.46) | CYP1A2HTR2CMAPTTSHRSIGMAR1 | |
| SCHEMBL569181 | 0.72 | TP53 (0.46) | CYP1A2HTR2CMAPTTSHRSIGMAR1 |
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 |
|---|---|---|---|---|---|---|---|
| US-9923143-B2 | Fullerene derivative, organic solar cell using same, and manufacturing method thereof | LG CHEM, LTD. (KR) | 2018-03-20 | — | — | US | disclosed |