Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.69 |
| ▸ | CASP2 | P42575 | 1/20 | 0.66 |
| ▸ | NAAA | Q02083 | 1/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
| ▸ | MEN1 | O00255 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | CNR1 | P21554 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL26553980 | 0.98 | CASP2 (0.69) | TSHRCASP2NAAAKDM4ELMNA | |
| SCHEMBL12245392 | 0.94 | TSHR (0.78) | TSHRCASP2NAAAKDM4ELMNA | |
| SCHEMBL17717725 | 0.89 | TSHR (0.70) | TSHRCASP2NAAAMEN1KMT2A | |
| SCHEMBL23729442 | 0.89 | TSHR (0.70) | TSHRCASP2NAAAMEN1KMT2A | |
| SCHEMBL14262301 | 0.88 | TSHR (0.81) | TSHRCASP2NAAAKDM4ELMNA | |
| SCHEMBL27098303 | 0.87 | TSHR (0.68) | TSHRCASP2NAAACNR1EPHX1 | |
| SCHEMBL18736049 | 0.87 | TSHR (0.68) | TSHRCASP2NAAACNR1EPHX1 | |
| SCHEMBL18735873 | 0.87 | TSHR (0.68) | TSHRCASP2NAAACNR1EPHX1 | |
| SCHEMBL23139329 | 0.87 | TSHR (0.68) | TSHRCASP2NAAACNR1EPHX1 | |
| SCHEMBL18735864 | 0.87 | TSHR (0.68) | TSHRCASP2NAAACNR1EPHX1 |
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-2003082350-A2 | RADIOLABELLED QUINOLINE AND QUINOLINONE DERIVATIVES AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR LIGANDS | JANSSEN PHARMACEUTICA N.V. (BE) | 2003-10-09 | — | — | WO | disclosed |