Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.75 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.75 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.44 |
| ▸ | THRB | P10828 | 1/20 | 0.44 |
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | EPHX1 | P07099 | 7/20 | 0.43 |
| ▸ | EPHX2 | P34913 | 3/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | ADH1B | P00325 | 2/20 | 0.43 |
| ▸ | ADH1C | P00326 | 2/20 | 0.43 |
| ▸ | ADH1A | P07327 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | ADH4 | P08319 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | ADH7 | P40394 | 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 | |
|---|---|---|---|---|
| Acetone SCHEMBL20551274 | 0.88 | ALDH1A1 (0.67) | ALDH1A1HSD17B10THRBATML3MBTL1 | |
| Ethane SCHEMBL9776531 | 0.87 | ALDH1A1 (0.86) | ALDH1A1HSD17B10SIGMAR1THRBATM | |
| SCHEMBL20733078 | 0.87 | ALDH1A1 (1.00) | ALDH1A1HSD17B10SIGMAR1THRBATM | |
| SCHEMBL21375316 | 0.87 | ALDH1A1 (1.00) | ALDH1A1HSD17B10SIGMAR1THRBATM | |
| SCHEMBL18657085 | 0.87 | ALDH1A1 (1.00) | ALDH1A1HSD17B10SIGMAR1THRBATM | |
| SCHEMBL24771540 | 0.87 | ALDH1A1 (1.00) | ALDH1A1HSD17B10SIGMAR1THRBATM | |
| SCHEMBL24771539 | 0.87 | ALDH1A1 (1.00) | ALDH1A1HSD17B10SIGMAR1THRBATM | |
| SCHEMBL25122871 | 0.87 | ALDH1A1 (1.00) | ALDH1A1HSD17B10SIGMAR1THRBATM | |
| SCHEMBL24839013 | 0.87 | ALDH1A1 (1.00) | ALDH1A1HSD17B10SIGMAR1THRBATM | |
| SCHEMBL18657086 | 0.87 | ALDH1A1 (1.00) | ALDH1A1HSD17B10SIGMAR1THRBATM |
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-106700120-A | Amine catalysts for polyurethane foams | 霍尼韦尔国际公司 | 2017-05-24 | — | — | CN | disclosed |