Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.51 |
| ▸ | THRB | P10828 | 2/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.51 |
| ▸ | TSHR | P16473 | 5/20 | 0.41 |
| ▸ | LMNA | P02545 | 3/20 | 0.41 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.38 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.37 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.37 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.37 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | ACHE | P22303 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL27882300 | 1.00 | ALDH1A1 (0.51) | ALDH1A1THRBSMN1; SMN2TSHRLMNA | |
| Sebacic Acid SCHEMBL11834027 | 0.86 | TSHR (0.41) | ALDH1A1THRBSMN1; SMN2TSHRLMNA | |
| SCHEMBL8212722 | 0.85 | CHRM2 (0.41) | ALDH1A1THRBSMN1; SMN2LMNACHRM2 | |
| SCHEMBL16330820 | 0.85 | TSHR (0.52) | ALDH1A1THRBTSHRLMNAPMP22 | |
| SCHEMBL5184107 | 0.85 | TSHR (0.52) | ALDH1A1THRBTSHRLMNAPMP22 | |
| SCHEMBL3681566 | 0.85 | TSHR (0.52) | ALDH1A1THRBTSHRLMNAPMP22 | |
| SCHEMBL2211224 | 0.85 | TSHR (0.52) | ALDH1A1THRBTSHRLMNAPMP22 | |
| SCHEMBL28510669 | 0.85 | TSHR (0.52) | ALDH1A1THRBTSHRLMNAPMP22 | |
| Adipic Acid SCHEMBL11841442 | 0.84 | LMNA (0.39) | ALDH1A1THRBSMN1; SMN2TSHRLMNA | |
| SCHEMBL10586703 | 0.84 | TSHR (0.43) | ALDH1A1THRBSMN1; SMN2TSHRLMNA |
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-105732568-B | A kind of synthetic method of Atorvastatin calcium chiral intermediate | 河南师范大学 | 2018-06-15 | — | — | CN | disclosed |