Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.59 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.56 |
| ▸ | LMNA | P02545 | 1/20 | 0.56 |
| ▸ | TSHR | P16473 | 6/20 | 0.47 |
| ▸ | CES2 | O00748 | 1/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.38 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.38 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.38 |
| ▸ | FAAH | O00519 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Ethyl Acetate SCHEMBL6819747 | 0.94 | ALDH1A1 (0.67) | ALDH1A1HSD17B10LMNATSHRCES2 | |
| Ethyl Acetate SCHEMBL8858969 | 0.90 | ALDH1A1 (0.57) | ALDH1A1HSD17B10LMNATSHRCES2 | |
| Ethyl Acetate SCHEMBL28171309 | 0.90 | ALDH1A1 (0.61) | ALDH1A1HSD17B10LMNATSHRCES2 | |
| Ethyl Acetate SCHEMBL27679826 | 0.88 | ALDH1A1 (0.59) | ALDH1A1HSD17B10LMNATSHRCES2 | |
| Ethyl Acetate SCHEMBL4427161 | 0.88 | ALDH1A1 (0.61) | ALDH1A1HSD17B10LMNATSHRCES2 | |
| Hexane SCHEMBL6948245 | 0.87 | ALDH1A1 (0.67) | ALDH1A1HSD17B10LMNATSHRCES2 | |
| Hexane SCHEMBL260348 | 0.87 | ALDH1A1 (0.67) | ALDH1A1HSD17B10LMNATSHRCES2 | |
| Hexane SCHEMBL6948482 | 0.87 | ALDH1A1 (0.67) | ALDH1A1HSD17B10LMNATSHRCES2 | |
| Ethyl Acetate SCHEMBL6986234 | 0.87 | ALDH1A1 (0.67) | ALDH1A1HSD17B10LMNATSHRATM | |
| Butoxyethanol SCHEMBL3390884 | 0.86 | TSHR (0.65) | ALDH1A1HSD17B10LMNATSHRCES2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1535958-A | Alpha-substituted pyrimidine. thioalkyl and alkyl ether compound | �������Ŷ���Լ��������˾ | 2004-10-13 | — | — | CN | disclosed |
| CN-1152022-C | Alpha-substituted pyrimidine-thioalkyl and alkylether compounds | �������Ŷ���Լ��������˾ | 2004-06-02 | — | — | CN | disclosed |
| CN-1183773-A | Alpha-substituted pyrimidine-thioalkyl and alkylether compounds | UPJOHN CO (US) | 1998-06-03 | — | — | CN | disclosed |