Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.73 |
| ▸ | LMNA | P02545 | 7/20 | 0.73 |
| ▸ | SMN1; SMN2 | Q16637 | 7/20 | 0.60 |
| ▸ | HTT | P42858 | 6/20 | 0.60 |
| ▸ | MAPT | P10636 | 5/20 | 0.60 |
| ▸ | RAB9A | P51151 | 3/20 | 0.60 |
| ▸ | NPC1 | O15118 | 2/20 | 0.60 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.60 |
| ▸ | POLB | P06746 | 1/20 | 0.59 |
| ▸ | PAX8 | Q06710 | 2/20 | 0.57 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.57 |
| ▸ | GAA | P10253 | 1/20 | 0.56 |
| ▸ | MEN1 | O00255 | 2/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL28293549 | 0.89 | ALDH1A1 (0.73) | ALDH1A1LMNASMN1; SMN2HTTMAPT | |
| SCHEMBL8440413 | 0.86 | ALDH1A1 (1.00) | ALDH1A1LMNASMN1; SMN2HTTMAPT | |
| Isophthalic Acid SCHEMBL28094671 | 0.80 | ALDH1A1 (0.84) | ALDH1A1LMNASMN1; SMN2HTTMAPT | |
| SCHEMBL28291864 | 0.76 | ALDH1A1 (0.76) | ALDH1A1LMNASMN1; SMN2HTTMAPT | |
| SCHEMBL28872862 | 0.75 | ALDH1A1 (0.80) | ALDH1A1LMNASMN1; SMN2HTTMAPT | |
| SCHEMBL1811947 | 0.73 | SMN1; SMN2 (0.76) | ALDH1A1LMNASMN1; SMN2HTTMAPT | |
| SCHEMBL27954071 | 0.73 | ALDH1A1 (1.00) | ALDH1A1LMNASMN1; SMN2HTTMAPT | |
| SCHEMBL8440614 | 0.73 | LMNA (0.80) | ALDH1A1LMNASMN1; SMN2HTTMAPT | |
| SCHEMBL14498801 | 0.73 | LMNA (0.80) | ALDH1A1LMNASMN1; SMN2HTTMAPT | |
| SCHEMBL5426780 | 0.73 | HTT (1.00) | ALDH1A1LMNASMN1; SMN2HTTMAPT |
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-109734674-A | Phenyl amines WDR5 protein-protein interaction inhibitor and its preparation method and purposes | 中国药科大学 | 2019-05-10 | — | — | CN | disclosed |