Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | THRB | P10828 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.44 |
| ▸ | KIF11 | P52732 | 1/20 | 0.41 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 2/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL17613 | 0.89 | — | — | |
| SCHEMBL29417984 | 0.89 | — | — | |
| Phenol SCHEMBL27884915 | 0.82 | ALDH1A1 (0.48) | TDP1SMN1; SMN2ALOX15CYP3A4TP53 | |
| Ethane SCHEMBL1703921 | 0.79 | CYP3A4 (0.50) | TDP1SMN1; SMN2ALOX15CYP3A4ALDH1A1 | |
| SCHEMBL29410382 | 0.79 | — | — | |
| SCHEMBL33295 | 0.79 | — | — | |
| Methyl Alcohol SCHEMBL27906609 | 0.77 | CYP3A4 (0.47) | TDP1SMN1; SMN2ALOX15CYP3A4ALDH1A1 | |
| Bromide SCHEMBL25169235 | 0.77 | — | — | |
| Methane SCHEMBL1702520 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL3152989 | 0.77 | — | — |
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-104628503-B | A kind of method of ethylene oligomerization | 中国石油化工股份有限公司 | 2016-08-17 | — | — | CN | disclosed |