Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 10/20 | 0.59 |
| ▸ | KDM4E | B2RXH2 | 10/20 | 0.59 |
| ▸ | HPGD | P15428 | 6/20 | 0.59 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.59 |
| ▸ | LMNA | P02545 | 3/20 | 0.59 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.58 |
| ▸ | TSHR | P16473 | 2/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.52 |
| ▸ | GAA | P10253 | 3/20 | 0.49 |
| ▸ | MEN1 | O00255 | 2/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.44 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.39 |
| ▸ | CASP1 | P29466 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL28197186 | 0.70 | ALDH1A1 (0.51) | ALDH1A1KDM4EHPGDSMN1; SMN2LMNA | |
| SCHEMBL28855717 | 0.70 | SMN1; SMN2 (0.43) | ALDH1A1KDM4EHPGDSMN1; SMN2RXFP1 | |
| SCHEMBL11345308 | 0.69 | ALDH1A1 (0.56) | ALDH1A1KDM4EHPGDSMN1; SMN2LMNA | |
| SCHEMBL7834754 | 0.69 | ALDH1A1 (0.63) | ALDH1A1KDM4EHPGDSMN1; SMN2LMNA | |
| SCHEMBL28855747 | 0.67 | KDM4E (0.57) | ALDH1A1KDM4EHPGDSMN1; SMN2LMNA | |
| SCHEMBL11340384 | 0.66 | ALDH1A1 (0.57) | ALDH1A1KDM4EHPGDSMN1; SMN2LMNA | |
| SCHEMBL13997137 | 0.66 | HTT (0.55) | ALDH1A1KDM4ESMN1; SMN2TSHRCYP2C9 | |
| SCHEMBL5010872 | 0.66 | HSD11B1 (0.43) | ALDH1A1KDM4EHPGDSMN1; SMN2TSHR | |
| SCHEMBL4532269 | 0.65 | ALDH1A1 (0.51) | ALDH1A1KDM4EHPGDSMN1; SMN2LMNA | |
| SCHEMBL445355 | 0.65 | ALDH1A1 (0.48) | ALDH1A1KDM4EHPGDSMN1; SMN2RXFP1 |
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-107573273-A | A kind of preparation method of three substitution, 3 cyanopyrrole analog derivatives | 浙江大学 | 2018-01-12 | — | — | CN | disclosed |