Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.46 |
| ▸ | CES2 | O00748 | 1/20 | 0.42 |
| ▸ | CES1 | P23141 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 5/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | PARP1 | P09874 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.38 |
| ▸ | BLM | P54132 | 1/20 | 0.38 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Chlorobenzene SCHEMBL27403290 | 0.98 | TSHR (0.44) | TSHRCES2CES1L3MBTL1MAPT | |
| Benzene SCHEMBL3120365 | 0.82 | CYP3A4 (0.37) | TSHRL3MBTL1MAPTPARP1CYP2C19 | |
| Aniline SCHEMBL27368335 | 0.81 | TSHR (0.48) | TSHRL3MBTL1MAPTPARP1CYP2C19 | |
| Naphthalene SCHEMBL27608457 | 0.80 | CYP2A6 (0.38) | TSHRCES2CES1L3MBTL1MAPT | |
| Benzene SCHEMBL27536972 | 0.79 | CYP3A4 (0.35) | TSHRL3MBTL1MAPTPARP1CYP2C19 | |
| Benzene SCHEMBL28203037 | 0.79 | CYP3A4 (0.35) | TSHRL3MBTL1MAPTPARP1CYP2C19 | |
| Chlorobenzene SCHEMBL27488158 | 0.79 | TSHR (0.65) | TSHRCES2CES1L3MBTL1MAPT | |
| Chlorobenzene SCHEMBL9576941 | 0.79 | TSHR (0.65) | TSHRCES2CES1L3MBTL1MAPT | |
| Toluene SCHEMBL8599249 | 0.79 | LMNA (0.46) | TSHRCES2CES1L3MBTL1MAPT | |
| Chlorobenzene SCHEMBL27687167 | 0.78 | TSHR (0.50) | TSHRCES2CES1L3MBTL1MAPT |
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-20190391092-A1 | METABOLIC PROFILING WITH MAGNETIC RESONANCE MASS SPECTROMETRY (MRMS) | Oregon Institute of Science and Medicine | 2019-12-26 | — | — | US | disclosed |