Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | BRPF1 | P55201 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.39 |
| ▸ | BRD4 | O60885 | 1/20 | 0.39 |
| ▸ | BRD1 | O95696 | 1/20 | 0.39 |
| ▸ | TAF1 | P21675 | 1/20 | 0.39 |
| ▸ | BRD2 | P25440 | 1/20 | 0.39 |
| ▸ | SMARCA4 | P51532 | 1/20 | 0.39 |
| ▸ | BPTF | Q12830 | 1/20 | 0.39 |
| ▸ | BRDT | Q58F21 | 1/20 | 0.39 |
| ▸ | ATAD2 | Q6PL18 | 1/20 | 0.39 |
| ▸ | PBRM1 | Q86U86 | 1/20 | 0.39 |
| ▸ | TAF1L | Q8IZX4 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL20160359 | 0.86 | CYP2C9 (0.43) | ALDH1A1CYP1A2CYP2C9CYP2C19SMN1; SMN2 | |
| SCHEMBL140145 | 0.84 | KDM4E (0.39) | ALDH1A1CYP1A2CYP2C9SMN1; SMN2KMT2A | |
| SCHEMBL105064 | 0.82 | BRD9 (0.45) | BRD4BRD2CREBBPBRD9TNKS | |
| SCHEMBL105123 | 0.79 | BAZ2B (0.41) | ALDH1A1CYP1A2CYP2C9SMN1; SMN2KMT2A | |
| SCHEMBL20160220 | 0.78 | BRPF1 (0.58) | ALDH1A1CYP1A2CYP2C9CYP2C19SMN1; SMN2 | |
| SCHEMBL5057070 | 0.71 | KMT2A (0.41) | ALDH1A1CYP1A2CYP2C9SMN1; SMN2KMT2A | |
| SCHEMBL21354900 | 0.68 | BRD9 (0.39) | ALDH1A1KMT2ABRD4BRD9KDM4E | |
| SCHEMBL104901 | 0.67 | KDM4E (0.40) | ALDH1A1CYP1A2CYP2C9SMN1; SMN2KMT2A | |
| SCHEMBL20160351 | 0.67 | BRPF1 (0.57) | ALDH1A1CYP1A2CYP2C9CYP2C19SMN1; SMN2 | |
| SCHEMBL3784358 | 0.67 | ALDH1A1 (0.73) | ALDH1A1CYP1A2CYP2C9CYP2C19SMN1; 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 |
|---|---|---|---|---|---|---|---|
| WO-2018086585-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND APPLICATIONS THEREOF | 山东罗欣药业集团股份有限公司 | 2018-05-17 | — | — | WO | disclosed |