Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR3 | P46089 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.35 |
| ▸ | IDO1 | P14902 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.33 |
| ▸ | HPRT1 | P00492 | 3/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | TRPM4 | Q8TD43 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | BACE1 | P56817 | 1/20 | 0.31 |
| ▸ | NCF1 | P14598 | 1/20 | 0.31 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.31 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.31 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL347061 | 0.77 | IDO1 (0.41) | GPR3CYP1A2IDO1ALDH1A1CYP2C19 | |
| SCHEMBL3158081 | 0.74 | GPR3 (0.54) | GPR3CYP1A2ALDH1A1CYP2C19KDM4E | |
| SCHEMBL12405316 | 0.72 | IDO1 (0.48) | GPR3CYP1A2IDO1ALDH1A1HPRT1 | |
| SCHEMBL5010702 | 0.72 | ALDH1A1 (0.36) | CYP1A2IDO1ALDH1A1HIF1ACYP1B1 | |
| SCHEMBL1880902 | 0.72 | IDO1 (0.41) | CYP1A2IDO1SMN1; SMN2CYP2A6 | |
| SCHEMBL29726936 | 0.72 | IDO1 (0.41) | CYP1A2IDO1SMN1; SMN2CYP2A6 | |
| SCHEMBL3150486 | 0.71 | — | — | |
| SCHEMBL4572706 | 0.71 | IDO1 (0.32) | IDO1 | |
| SCHEMBL28569273 | 0.71 | HPRT1 (0.47) | GPR3CYP1A2IDO1ALDH1A1HPRT1 | |
| SCHEMBL7638577 | 0.71 | HPRT1 (0.47) | GPR3CYP1A2IDO1ALDH1A1HPRT1 |
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-110105160-B | Preparation method based on triphenylene alkyne type precursor and polycyclic aromatic hydrocarbon derivative thereof | 哈尔滨工业大学 | 2022-09-16 | — | — | CN | disclosed |