Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.58 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.43 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | LTA4H | P09960 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | MGLL | Q99685 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | EGFR | P00533 | 2/20 | 0.38 |
| ▸ | ERBB2 | P04626 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Benzyl Alcohol SCHEMBL11361278 | 0.87 | TSHR (0.70) | TSHRMAPK1LMNALTA4HALDH1A1 | |
| Benzyl Alcohol SCHEMBL28333286 | 0.84 | TSHR (0.74) | TSHRPLA2G1BATG4BLTA4HALDH1A1 | |
| Benzyl Alcohol SCHEMBL1014536 | 0.84 | TSHR (0.74) | TSHRMAPK1MEN1KMT2ALTA4H | |
| Benzyl Alcohol SCHEMBL27256371 | 0.82 | TSHR (0.70) | TSHRPLA2G1BATG4BKMT2ALTA4H | |
| Bromobenzene SCHEMBL9228499 | 0.79 | ALDH1A1 (0.65) | MAPK1MEN1LMNAMAPTKMT2A | |
| SCHEMBL28201558 | 0.78 | TSHR (0.60) | TSHRMEN1KMT2AALDH1A1 | |
| SCHEMBL104349 | 0.77 | — | — | |
| SCHEMBL15233235 | 0.77 | — | — | |
| SCHEMBL23462 | 0.77 | — | — | |
| Benzyl Alcohol SCHEMBL9066990 | 0.76 | TSHR (1.00) | TSHRLTA4HALDH1A1TDP1 |
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-104817438-B | A kind of alkylation of fluorine-containing aryl halide | 上海万溯化学有限公司 | 2018-01-16 | — | — | CN | disclosed |