Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RPS6KA5 | O75582 | 2/20 | 0.38 |
| ▸ | PDE1A | P54750 | 1/20 | 0.35 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.35 |
| ▸ | PDE1C | Q14123 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | SHMT2 | P34897 | 1/20 | 0.33 |
| ▸ | PARP1 | P09874 | 1/20 | 0.33 |
| ▸ | CARM1 | Q86X55 | 1/20 | 0.33 |
| ▸ | JAK2 | O60674 | 2/20 | 0.32 |
| ▸ | TYK2 | P29597 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.32 |
| ▸ | MMP12 | P39900 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL23102443 | 0.71 | KDM4E (0.43) | PARP1JAK2KMT2ACYP1A2BTK | |
| SCHEMBL23102647 | 0.66 | RPS6KA5 (0.38) | RPS6KA5PDE1APDE1BPDE1C | |
| SCHEMBL18686677 | 0.66 | SMN1; SMN2 (0.37) | SMN1; SMN2CYP2C19CYP1A2 | |
| SCHEMBL20086199 | 0.66 | ALDH1A1 (0.39) | POLBSMN1; SMN2JAK2TYK2MEN1 | |
| SCHEMBL31343149 | 0.65 | ALDH1A1 (0.44) | POLBSMN1; SMN2MEN1KMT2AHSD11B1 | |
| SCHEMBL19766304 | 0.65 | ALDH1A1 (0.44) | POLBSMN1; SMN2MEN1KMT2AHSD11B1 | |
| SCHEMBL6366681 | 0.65 | TLR8 (0.40) | PARP1MEN1KMT2ACYP3A4CYP2C9 | |
| SCHEMBL23102648 | 0.63 | RPS6KA5 (0.44) | RPS6KA5POLBCYP1A2 | |
| SCHEMBL23103161 | 0.63 | CD274 (0.42) | PDCD1CD274 | |
| SCHEMBL31004236 | 0.63 | CD274 (0.42) | PDCD1CD274 |
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-2021047556-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUND, AND PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME AND USE THEREOF | 上海长森药业有限公司 | 2021-03-18 | — | — | WO | disclosed |