Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.57 |
| ▸ | L3MBTL1 | Q9Y468 | 5/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.54 |
| ▸ | MAPT | P10636 | 3/20 | 0.54 |
| ▸ | HPGD | P15428 | 2/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.54 |
| ▸ | LMNA | P02545 | 2/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.53 |
| ▸ | MEN1 | O00255 | 3/20 | 0.51 |
| ▸ | NPC1 | O15118 | 2/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.50 |
| ▸ | CES1 | P23141 | 1/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.49 |
| ▸ | ATM | Q13315 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL9799560 | 0.94 | TSHR (0.63) | TSHRL3MBTL1ALDH1A1MAPTHPGD | |
| SCHEMBL2026026 | 0.94 | TSHR (0.63) | TSHRL3MBTL1ALDH1A1MAPTHPGD | |
| Trimethylammonium SCHEMBL27818073 | 0.88 | TSHR (0.57) | TSHRL3MBTL1ALDH1A1MAPTHPGD | |
| Acetophenone SCHEMBL7259513 | 0.88 | SMN1; SMN2 (0.50) | TSHRL3MBTL1ALDH1A1MAPTHPGD | |
| Acetaldehyde SCHEMBL27808720 | 0.86 | TSHR (0.55) | TSHRL3MBTL1ALDH1A1MAPTHPGD | |
| SCHEMBL2874488 | 0.86 | KMT2A (0.59) | TSHRL3MBTL1ALDH1A1MAPTHPGD | |
| Benzoic Acid SCHEMBL11324238 | 0.86 | TSHR (0.58) | TSHRL3MBTL1ALDH1A1MAPTHPGD | |
| SCHEMBL9795478 | 0.85 | KMT2A (0.57) | TSHRL3MBTL1ALDH1A1MAPTHPGD | |
| Acetophenone SCHEMBL27412815 | 0.84 | KMT2A (0.49) | TSHRL3MBTL1ALDH1A1MAPTHPGD | |
| SCHEMBL27832807 | 0.83 | TSHR (0.52) | TSHRL3MBTL1ALDH1A1MAPTHPGD |
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 |
|---|---|---|---|---|---|---|---|
| CN-107445846-A | The technique of isobutyl-aniline between a kind of synthesis | 江苏广域化学有限公司 | 2017-12-08 | — | — | CN | disclosed |