Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSPA5 | P11021 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.43 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 7/20 | 0.42 |
| ▸ | CA2 | P00918 | 7/20 | 0.42 |
| ▸ | IDO1 | P14902 | 2/20 | 0.42 |
| ▸ | CA9 | Q16790 | 5/20 | 0.41 |
| ▸ | MPO | P05164 | 2/20 | 0.41 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.41 |
| ▸ | HTR1A | P08908 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | GMNN | O75496 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | EGFR | P00533 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL9757447 | 0.78 | HSPA5 (0.50) | HSPA5TSHRHIF1ACYP2D6TAAR1 | |
| SCHEMBL27698935 | 0.78 | HSPA5 (0.50) | HSPA5TSHRHIF1ACYP2D6TAAR1 | |
| SCHEMBL9578479 | 0.75 | CYP1A2 (0.47) | HSPA5TSHRHIF1ACYP2D6TAAR1 | |
| SCHEMBL6535216 | 0.75 | HSPA5 (0.46) | HSPA5TSHRHIF1ACYP2D6TAAR1 | |
| SCHEMBL361669 | 0.73 | HSPA5 (0.54) | HSPA5TSHRHIF1ACYP2D6TAAR1 | |
| SCHEMBL30023384 | 0.73 | HSPA5 (0.54) | HSPA5TSHRHIF1ACYP2D6TAAR1 | |
| SCHEMBL1593309 | 0.73 | HSPA5 (0.54) | HSPA5TSHRHIF1ACYP2D6TAAR1 | |
| SCHEMBL891289 | 0.73 | HSPA5 (0.54) | HSPA5TSHRHIF1ACYP2D6TAAR1 | |
| SCHEMBL19836647 | 0.69 | GABRA1 (0.40) | TSHRCYP2D6AKR1B1HTR1AKDM4E | |
| SCHEMBL1038339 | 0.69 | — | — |
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-87103507-A | The preparation of propargyl oxybenzene derivative and contain the mycocide of propargyl oxybenzene derivative | — | 1988-01-13 | — | — | CN | disclosed |