Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 3/20 | 0.43 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.43 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.43 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.43 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.43 |
| ▸ | NAAA | Q02083 | 1/20 | 0.42 |
| ▸ | RAD52 | P43351 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL27390100 | 1.00 | ESR1 (0.43) | ESR1AKR1C4AKR1C3AKR1C2AKR1C1 | |
| SCHEMBL28219118 | 1.00 | ESR1 (0.43) | ESR1AKR1C4AKR1C3AKR1C2AKR1C1 | |
| SCHEMBL28201432 | 0.89 | THRA (0.44) | NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL27929670 | 0.88 | VCAM1 (0.37) | — | |
| SCHEMBL9705163 | 0.88 | ESR1 (0.43) | ESR1AKR1C4AKR1C3AKR1C2AKR1C1 | |
| SCHEMBL10024159 | 0.86 | ESR1 (0.42) | ESR1AKR1C4AKR1C3AKR1C2AKR1C1 | |
| SCHEMBL28112983 | 0.86 | NPC1 (0.42) | NAAARAD52NPSR1NPC1RAB9A | |
| SCHEMBL9429923 | 0.85 | ESR1 (0.41) | ESR1AKR1C4AKR1C3AKR1C2AKR1C1 | |
| SCHEMBL22749430 | 0.85 | ESR1 (0.41) | ESR1AKR1C4AKR1C3AKR1C2AKR1C1 | |
| SCHEMBL9580373 | 0.85 | ESR1 (0.41) | ESR1AKR1C4AKR1C3AKR1C2AKR1C1 |
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-108084025-A | A kind of preparation method of 3- (3,5- di-tert-butyl-hydroxy phenyls) propionic acid alkyl alcohol ester | 武汉材料保护研究所有限公司 | 2018-05-29 | — | — | CN | disclosed |