Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.79 |
| ▸ | TP53 | P04637 | 1/20 | 0.79 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.56 |
| ▸ | MAP4K4 | O95819 | 3/20 | 0.56 |
| ▸ | RXRA | P19793 | 1/20 | 0.55 |
| ▸ | RXRB | P28702 | 1/20 | 0.55 |
| ▸ | TSHR | P16473 | 2/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.51 |
| ▸ | GAA | P10253 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 1/20 | 0.51 |
| ▸ | THRB | P10828 | 1/20 | 0.51 |
| ▸ | MAOA | P21397 | 1/20 | 0.50 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.50 |
| ▸ | FGFR2 | P21802 | 1/20 | 0.50 |
| ▸ | FGFR3 | P22607 | 1/20 | 0.50 |
| ▸ | BRD4 | O60885 | 1/20 | 0.49 |
| ▸ | BRD2 | P25440 | 1/20 | 0.49 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.49 |
| ▸ | MAOB | P27338 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL3793225 | 1.00 | CYP3A4 (0.79) | CYP3A4TP53NOTUMMAP4K4RXRA | |
| SCHEMBL3786792 | 0.89 | CYP3A4 (0.68) | CYP3A4TP53NOTUMMAP4K4RXRA | |
| SCHEMBL112380 | 0.88 | CYP3A4 (1.00) | CYP3A4TP53NOTUMMAP4K4TSHR | |
| SCHEMBL29371541 | 0.88 | CYP3A4 (1.00) | CYP3A4TP53NOTUMMAP4K4TSHR | |
| SCHEMBL29426410 | 0.88 | RXRA (0.66) | CYP3A4TP53NOTUMMAP4K4RXRA | |
| SCHEMBL9260410 | 0.88 | RXRA (0.66) | CYP3A4TP53NOTUMMAP4K4RXRA | |
| SCHEMBL978718 | 0.87 | TP53 (0.65) | CYP3A4TP53MAP4K4RXRARXRB | |
| SCHEMBL1337788 | 0.87 | TP53 (0.65) | CYP3A4TP53NOTUMMAP4K4RXRA | |
| Hydrochloric Acid SCHEMBL2871122 | 0.86 | CYP3A4 (0.96) | CYP3A4TP53NOTUMMAP4K4TSHR | |
| SCHEMBL29012837 | 0.86 | RXRA (0.64) | CYP3A4TP53NOTUMMAP4K4RXRA |
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-115397806-A | Aryl and heteroaryl compounds and their therapeutic use in conditions associated with altered activity of galactocerebrosidase | 增益治疗股份有限公司 | 2022-11-25 | — | — | CN | disclosed |