Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 12/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.44 |
| ▸ | PKM | P14618 | 2/20 | 0.44 |
| ▸ | HTT | P42858 | 4/20 | 0.41 |
| ▸ | TSHR | P16473 | 3/20 | 0.41 |
| ▸ | POLB | P06746 | 2/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.40 |
| ▸ | LMNA | P02545 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | TP53 | P04637 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | NR5A2 | O00482 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | GSK3A | P49840 | 1/20 | 0.40 |
| ▸ | GSK3B | P49841 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL25827617 | 0.98 | ALDH1A1 (0.41) | ALDH1A1CYP2C9CYP2C19SMN1; SMN2PKM | |
| SCHEMBL11428167 | 0.84 | GSK3A (0.44) | ALDH1A1CYP2C9CYP2C19SMN1; SMN2PKM | |
| SCHEMBL11847806 | 0.75 | GSK3A (0.54) | ALDH1A1CYP2C9CYP2C19SMN1; SMN2PKM | |
| SCHEMBL9350770 | 0.74 | ALDH1A1 (0.42) | ALDH1A1CYP2C9CYP2C19SMN1; SMN2PKM | |
| SCHEMBL16004440 | 0.72 | GSK3A (0.50) | ALDH1A1CYP2C9CYP2C19SMN1; SMN2PKM | |
| SCHEMBL9351790 | 0.72 | ALDH1A1 (0.38) | ALDH1A1CYP2C9CYP2C19SMN1; SMN2PKM | |
| SCHEMBL4763682 | 0.72 | ALDH1A1 (0.49) | ALDH1A1CYP2C9CYP2C19SMN1; SMN2PKM | |
| SCHEMBL11620873 | 0.71 | ALDH1A1 (0.49) | ALDH1A1CYP2C9CYP2C19SMN1; SMN2PKM | |
| SCHEMBL11840108 | 0.71 | JAK2 (0.47) | ALDH1A1CYP2C9CYP2C19SMN1; SMN2PKM | |
| SCHEMBL3472019 | 0.71 | ALDH1A1 (0.60) | ALDH1A1CYP2C9CYP2C19SMN1; SMN2PKM |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0369744-B1 | Xanthine derivatives, process for their preparation and pharmaceutical compositions | SMITHKLINE BEECHAM PHARMA GMBH (DE) | 1994-09-21 | — | — | EP | disclosed |
| US-5321029-A | Vascular and skin disorders; bronchodilator | BEECHAM-WUELFING GMBH & CO.K.G. (DE) | 1994-06-14 | — | — | US | disclosed |
| EP-0369744-A2 | Xanthine derivatives, process for their preparation and pharmaceutical compositions | SMITHKLINE BEECHAM PHARMA GmbH (DE) | 1990-05-23 | — | — | EP | disclosed |