Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.43 |
| ▸ | HTR2C | P28335 | 5/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | SLC25A5 | P05141 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 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 | |
|---|---|---|---|---|
| SCHEMBL19976028 | 0.88 | CYP1A2 (0.42) | TSHRCYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL17400432 | 0.85 | HTR2C (0.47) | CYP1A2CYP2D6HTR2C | |
| SCHEMBL19976024 | 0.82 | CYP1A2 (0.41) | TSHRCYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL17400444 | 0.81 | ALDH1A1 (0.46) | ALDH1A1MAPT | |
| SCHEMBL30978693 | 0.79 | TP53 (0.46) | TSHRCYP1A2HTR2CMAPT | |
| SCHEMBL569181 | 0.79 | TP53 (0.46) | TSHRCYP1A2HTR2CMAPT | |
| SCHEMBL21978272 | 0.78 | GLA (0.48) | CYP3A4CYP2C9CYP2C19ALDH1A1HTR2C | |
| SCHEMBL5740049 | 0.77 | HSD17B10 (0.50) | TSHRCYP2C19HTR2CHSD17B10 | |
| SCHEMBL568436 | 0.74 | HTR2C (0.49) | HTR2C | |
| SCHEMBL17540282 | 0.74 | PRSS1 (0.50) | TSHRCYP1A2CYP3A4ALDH1A1HTR2C |
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 |