Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | AOC3 | Q16853 | 3/20 | 0.46 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.40 |
| ▸ | CARM1 | Q86X55 | 1/20 | 0.40 |
| ▸ | PRMT6 | Q96LA8 | 1/20 | 0.40 |
| ▸ | PRMT8 | Q9NR22 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.39 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.39 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.39 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL11344330 | 0.89 | CALM1 (0.50) | TSHRALDH1A1TAAR1TP53CALM1 | |
| SCHEMBL28882809 | 0.74 | ALDH1A1 (0.48) | TSHRALDH1A1TP53CALM1TDP1 | |
| SCHEMBL7929243 | 0.72 | — | — | |
| Ethylbenzene SCHEMBL27308197 | 0.72 | TP53 (0.82) | TSHRALDH1A1AOC3TAAR1TP53 | |
| SCHEMBL24403193 | 0.72 | TSHR (0.43) | TSHRALDH1A1AOC3TAAR1TP53 | |
| Trimethylammonium SCHEMBL9766821 | 0.70 | ALDH1A1 (0.52) | TSHRALDH1A1AOC3TAAR1TP53 | |
| SCHEMBL275277 | 0.70 | CALM1 (0.43) | TSHRALDH1A1TAAR1TP53CALM1 | |
| Benzyl Alcohol SCHEMBL247616 | 0.70 | TSHR (0.78) | TSHRALDH1A1AOC3TAAR1TP53 | |
| Trimethylammonium SCHEMBL8195424 | 0.70 | TSHR (0.94) | TSHRALDH1A1AOC3TAAR1SIGMAR1 | |
| (Chloromethyl)Benzene SCHEMBL196178 | 0.70 | TSHR (0.52) | TSHRALDH1A1AOC3TAAR1TP53 |
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-110669062-A | Alpha-aryl or alkyl substituted borane adducts and methods of preparation and use thereof | 南开大学 | 2020-01-10 | — | — | CN | disclosed |