Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTRC | Q99895 | 2/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.36 |
| ▸ | RAB9A | P51151 | 6/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.36 |
| ▸ | HPGD | P15428 | 5/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.36 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.36 |
| ▸ | RELA | Q04206 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 3/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.35 |
| ▸ | PLK4 | O00444 | 1/20 | 0.33 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.33 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.33 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28367585 | 0.82 | ALDH1A1 (0.37) | ALDH1A1RAB9AKDM4EHPGDSMN1; SMN2 | |
| SCHEMBL28367501 | 0.82 | ALDH1A1 (0.38) | CYP2A6ALDH1A1RAB9AKDM4EHPGD | |
| SCHEMBL28367630 | 0.81 | ALDH1A1 (0.36) | ALDH1A1RAB9AKDM4EHPGDSMN1; SMN2 | |
| SCHEMBL28367439 | 0.78 | ALDH1A1 (0.38) | CTRCALDH1A1RAB9AKDM4EHPGD | |
| SCHEMBL28372435 | 0.77 | MAPT (0.34) | ALDH1A1RAB9AKDM4EHPGDSMN1; SMN2 | |
| SCHEMBL12203195 | 0.72 | ALDH1A1 (0.44) | CTRCCYP2A6ALDH1A1RAB9AKDM4E | |
| SCHEMBL8487225 | 0.72 | ALDH1A1 (0.42) | CYP2A6ALDH1A1RAB9AKDM4EHPGD | |
| SCHEMBL23957913 | 0.72 | PDCD1 (0.40) | CYP2A6ALDH1A1RAB9AKDM4EHPGD | |
| SCHEMBL31615038 | 0.70 | CYP2A6 (0.54) | CTRCCYP2A6ALDH1A1RAB9AKDM4E | |
| SCHEMBL22884329 | 0.70 | CYP2A6 (0.54) | CTRCCYP2A6ALDH1A1RAB9AKDM4E |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110746393-B | Synthesis method of 3-methylthio substituted benzofuran compound | 河北凯诺中星科技有限公司 | 2023-01-06 | — | — | CN | disclosed |
| CN-110746393-A | Synthesis method of 3-methylthio substituted benzofuran compound | 天津大学 | 2020-02-04 | — | — | CN | disclosed |