Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | HTR3E | A5X5Y0 | 2/20 | 0.34 |
| ▸ | HTR3B | O95264 | 2/20 | 0.34 |
| ▸ | HTR3A | P46098 | 2/20 | 0.34 |
| ▸ | HTR3D | Q70Z44 | 2/20 | 0.34 |
| ▸ | HTR3C | Q8WXA8 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.33 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.32 |
| ▸ | TRPV3 | Q8NET8 | 1/20 | 0.31 |
| ▸ | IDH1 | O75874 | 4/20 | 0.31 |
| ▸ | IDH2 | P48735 | 3/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.31 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.31 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.31 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL7898210 | 0.88 | CYP3A4 (0.42) | CYP3A4TSHRL3MBTL1HTR3EHTR3B | |
| SCHEMBL27852400 | 0.81 | CYP3A4 (0.37) | CYP3A4TSHRL3MBTL1HTR3EHTR3B | |
| SCHEMBL27869212 | 0.81 | CYP3A4 (0.37) | CYP3A4TSHRL3MBTL1HTR3EHTR3B | |
| SCHEMBL27852175 | 0.81 | CYP3A4 (0.37) | CYP3A4TSHRL3MBTL1HTR3EHTR3B | |
| SCHEMBL2301721 | 0.81 | TSHR (0.48) | CYP3A4TSHRL3MBTL1HTR3EHTR3B | |
| SCHEMBL2302960 | 0.79 | CYP3A4 (0.42) | CYP3A4TSHRL3MBTL1HTR3EHTR3B | |
| SCHEMBL27852207 | 0.78 | CYP3A4 (0.35) | CYP3A4TSHRL3MBTL1TRPV3IDH1 | |
| SCHEMBL2655450 | 0.78 | PPARA (0.49) | CYP3A4TSHRL3MBTL1ALDH1A1MEN1 | |
| SCHEMBL28980448 | 0.78 | IDH1 (0.35) | CYP3A4TSHRL3MBTL1TRPV3IDH1 | |
| SCHEMBL336762 | 0.76 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0255778-B1 | THERMOPLASTIC AROMATIC POLYETHER-PYRIDINES AND PROCESS FOR PREPARING SAME | MITSUI TOATSU CHEMICALS, Inc. (JP) | 1993-03-03 | — | — | EP | disclosed |
| US-4803258-A | FROM DIHALOGENOPYRIDINE AND DIOL, MOLDING MATERIALS, FILMS, WIRE COATING | MITSUI TOATSU CHEMICALS, INCORPORATED (JP) | 1989-02-07 | — | — | US | disclosed |
| EP-0255778-A1 | Thermoplastic aromatic polyether-pyridines and process for preparing same | MITSUI TOATSU CHEMICALS, Inc. (JP) | 1988-02-10 | — | — | EP | disclosed |