Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 4/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | TP53 | P04637 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL11637351 | 0.74 | ALDH1A1 (0.50) | KMT2ASMN1; SMN2CRBNALDH1A1CYP3A4 | |
| SCHEMBL1821908 | 0.74 | ALDH1A1 (0.43) | KMT2ASMN1; SMN2CRBNALDH1A1CYP3A4 | |
| SCHEMBL10353003 | 0.70 | CDC25A (0.51) | TP53 | |
| SCHEMBL18769609 | 0.68 | KMT2A (0.47) | KMT2ASMN1; SMN2CRBNALDH1A1CYP3A4 | |
| Hydrochloric Acid SCHEMBL18742407 | 0.67 | KMT2A (0.46) | KMT2ASMN1; SMN2CRBNALDH1A1CYP3A4 | |
| SCHEMBL19683450 | 0.66 | ALDH1A1 (0.48) | KMT2ASMN1; SMN2CRBNALDH1A1CYP3A4 | |
| SCHEMBL4569141 | 0.66 | ENPP3 (0.42) | ALDH1A1CYP3A4CYP2C9CYP2C19HSD17B10 | |
| SCHEMBL4569124 | 0.66 | ENPP3 (0.42) | ALDH1A1CYP3A4CYP2C9CYP2C19HSD17B10 | |
| SCHEMBL18706862 | 0.66 | ENPP3 (0.42) | ALDH1A1CYP3A4CYP2C9CYP2C19HSD17B10 | |
| SCHEMBL2208059 | 0.66 | ENPP3 (0.42) | ALDH1A1CYP3A4CYP2C9CYP2C19HSD17B10 |
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-109232322-B | Synthetic method of valiolamine key intermediate | 常州博海威医药科技股份有限公司 | 2021-03-23 | — | — | CN | disclosed |