Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | BACE1 | P56817 | 5/20 | 0.37 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | GRM5 | P41594 | 2/20 | 0.34 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.33 |
| ▸ | REN | P00797 | 1/20 | 0.33 |
| ▸ | APP | P05067 | 1/20 | 0.33 |
| ▸ | BACE2 | Q9Y5Z0 | 1/20 | 0.33 |
| ▸ | DHFR | P00374 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL440388 | 0.73 | ALDH1A1 (0.40) | TSHRBACE1HSD11B1MEN1KMT2A | |
| Hydroxyamine SCHEMBL12488720 | 0.71 | FFAR3 (0.30) | — | |
| Benzoic Acid SCHEMBL17838773 | 0.69 | TSHR (0.50) | TSHRMEN1MAPTKMT2ACYP3A4 | |
| Methyl Alcohol SCHEMBL4958474 | 0.69 | FFAR3 (0.32) | TSHR | |
| Aniline SCHEMBL8757361 | 0.69 | TSHR (0.73) | TSHRMEN1MAPTPKMHTT | |
| Aniline SCHEMBL11818606 | 0.68 | — | — | |
| Aniline SCHEMBL27831713 | 0.68 | — | — | |
| Aniline SCHEMBL9864514 | 0.68 | TSHR (0.85) | TSHRMEN1MAPTPKMHTT | |
| Aniline SCHEMBL1984004 | 0.68 | — | — | |
| SCHEMBL18517570 | 0.68 | TSHR (1.00) | TSHRMEN1MAPTPKMHTT |
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-105826563-B | A kind of free radical polyalcohol material and its preparation and application | 武汉理工大学 | 2018-05-01 | — | — | CN | disclosed |