Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | MGAM | O43451 | 1/20 | 0.42 |
| ▸ | SI | P14410 | 1/20 | 0.42 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.42 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.42 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.39 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.35 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL27994640 | 1.00 | ALDH1A1 (0.46) | ALDH1A1HSD17B10LMNAGAAALOX15 | |
| SCHEMBL31352637 | 0.97 | ALDH1A1 (0.48) | ALDH1A1HSD17B10LMNAGAAALOX15 | |
| SCHEMBL8954889 | 0.97 | — | — | |
| SCHEMBL118486 | 0.97 | — | — | |
| SCHEMBL280605 | 0.97 | — | — | |
| SCHEMBL28212345 | 0.95 | ALDH1A1 (0.46) | ALDH1A1HSD17B10LMNAGAAALOX15 | |
| Ethane SCHEMBL28292482 | 0.95 | ALDH1A1 (0.46) | ALDH1A1HSD17B10LMNAGAAALOX15 | |
| SCHEMBL28212346 | 0.95 | ALDH1A1 (0.46) | ALDH1A1HSD17B10LMNAGAAALOX15 | |
| Ethylene SCHEMBL26696549 | 0.92 | ALDH1A1 (0.43) | ALDH1A1HSD17B10LMNAGAAALOX15 | |
| Ethylene Glycol SCHEMBL17594474 | 0.90 | ALDH1A1 (0.42) | ALDH1A1HSD17B10LMNAGAAALOX15 |
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-107980038-A | Calcium salt of Shakuba Trigonella | 诺华股份有限公司 | 2018-05-01 | — | — | CN | disclosed |