Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC9A1 | P19634 | 1/20 | 0.58 |
| ▸ | TSHR | P16473 | 2/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.51 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.51 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.51 |
| ▸ | VDR | P11473 | 1/20 | 0.46 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 4/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | GLA | P06280 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL27800186 | 0.86 | SLC9A1 (0.43) | SLC9A1TSHRCYP1A2CYP2D6CYP2C9 | |
| SCHEMBL3326163 | 0.76 | GRM2 (0.47) | SLC9A1TSHRLMNAALDH1A1KDM4E | |
| SCHEMBL17508611 | 0.75 | KDM4E (0.41) | TSHRLMNAKDM4EHPGDSMN1; SMN2 | |
| SCHEMBL3656128 | 0.74 | ADORA2A (0.34) | SLC9A1TSHRLMNAALDH1A1HPGD | |
| SCHEMBL1047732 | 0.74 | GRM2 (0.47) | TSHRCYP1A2LMNAPOLBALDH1A1 | |
| SCHEMBL5808082 | 0.73 | SLC9A1 (0.58) | SLC9A1TSHRCYP1A2CYP2D6CYP2C9 | |
| SCHEMBL15062577 | 0.73 | VDR (0.49) | SLC9A1TSHRCYP1A2CYP2D6CYP2C9 | |
| SCHEMBL4383908 | 0.73 | SLC9A1 (0.48) | SLC9A1TSHRCYP1A2CYP2D6CYP2C9 | |
| SCHEMBL19128354 | 0.71 | CYP1A2 (0.65) | SLC9A1TSHRCYP1A2CYP2D6CYP2C9 | |
| SCHEMBL14584085 | 0.71 | CYP1A2 (0.65) | SLC9A1TSHRCYP1A2CYP2D6CYP2C9 |
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-117003739-A | Nitrogen-containing heterocyclic compound, preparation method and application thereof | 安徽中医药大学 | 2023-11-07 | — | — | CN | disclosed |