Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.77 |
| ▸ | HPGD | P15428 | 3/20 | 0.40 |
| ▸ | TSHR | P16473 | 3/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | CHRM4 | P08173 | 4/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | ILK | Q13418 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL19782849 | 1.00 | ALDH1A1 (0.77) | ALDH1A1HPGDTSHRHSD17B10SMN1; SMN2 | |
| SCHEMBL10723297 | 0.84 | ALDH1A1 (0.79) | ALDH1A1HPGDTSHRHSD17B10SMN1; SMN2 | |
| SCHEMBL14970046 | 0.81 | HSD17B10 (0.54) | ALDH1A1HPGDTSHRHSD17B10SMN1; SMN2 | |
| SCHEMBL25964214 | 0.81 | ALDH1A1 (0.51) | ALDH1A1HPGDTSHRHSD17B10SMN1; SMN2 | |
| SCHEMBL20597620 | 0.81 | ALDH1A1 (0.74) | ALDH1A1HPGDTSHRHSD17B10SMN1; SMN2 | |
| SCHEMBL19783204 | 0.80 | ALDH1A1 (0.49) | ALDH1A1HPGDTSHRHSD17B10SMN1; SMN2 | |
| SCHEMBL30189716 | 0.80 | ALDH1A1 (0.49) | ALDH1A1HPGDTSHRHSD17B10SMN1; SMN2 | |
| SCHEMBL2035753 | 0.79 | MEN1 (0.51) | ALDH1A1HPGDTSHRSMN1; SMN2LMNA | |
| SCHEMBL18416893 | 0.79 | CYP3A4 (0.56) | ALDH1A1HPGDTSHRHSD17B10SMN1; SMN2 | |
| SCHEMBL30189863 | 0.79 | CYP3A4 (0.56) | ALDH1A1HPGDTSHRHSD17B10SMN1; SMN2 |
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-109689647-B | Bicyclic heteroaryl substituted compounds | 百时美施贵宝公司 | 2023-01-20 | — | — | CN | disclosed |