Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.52 |
| ▸ | FAAH | O00519 | 2/20 | 0.46 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.46 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.46 |
| ▸ | THRB | P10828 | 1/20 | 0.42 |
| ▸ | EP300 | Q09472 | 1/20 | 0.41 |
| ▸ | GMNN | O75496 | 1/20 | 0.40 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | APEX1 | P27695 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | RECQL | P46063 | 1/20 | 0.40 |
| ▸ | BLM | P54132 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL11390788 | 1.00 | TSHR (0.52) | TSHRFAAHTRPV1EPHX2THRB | |
| SCHEMBL11390774 | 1.00 | TSHR (0.52) | TSHRFAAHTRPV1EPHX2THRB | |
| SCHEMBL11394752 | 1.00 | TSHR (0.52) | TSHRFAAHTRPV1EPHX2THRB | |
| SCHEMBL11400957 | 1.00 | TSHR (0.52) | TSHRFAAHTRPV1EPHX2THRB | |
| SCHEMBL4127883 | 0.97 | — | — | |
| SCHEMBL3936228 | 0.89 | — | — | |
| Octane SCHEMBL27539922 | 0.73 | TSHR (0.67) | TSHREPHX2THRBLMNAHSD17B10 | |
| SCHEMBL28561606 | 0.69 | — | — | |
| Tetradecanal SCHEMBL10857929 | 0.69 | TSHR (1.00) | TSHRFAAHTRPV1THRBEP300 | |
| Palmitaldehyde SCHEMBL29048063 | 0.69 | TSHR (1.00) | TSHRFAAHTRPV1THRBEP300 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1996016327-A1 | FLUORESCENT METAL-CHELATING AMPHIPHILE AND SENSOR | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 1996-05-30 | — | — | WO | disclosed |