Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.96 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.96 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.96 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.96 |
| ▸ | HTR1A | P08908 | 1/20 | 0.53 |
| ▸ | DRD2 | P14416 | 1/20 | 0.53 |
| ▸ | HTR2C | P28335 | 1/20 | 0.53 |
| ▸ | HTR7 | P34969 | 1/20 | 0.53 |
| ▸ | HRH1 | P35367 | 1/20 | 0.53 |
| ▸ | HTR2B | P41595 | 1/20 | 0.53 |
| ▸ | SIGMAR1 | Q99720 | 5/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | NAMPT | P43490 | 2/20 | 0.49 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.49 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.46 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL38662915 | 1.00 | ALDH1A1 (0.96) | ALDH1A1CYP1A2CYP2D6CYP2C19HTR1A | |
| SCHEMBL15779805 | 1.00 | ALDH1A1 (0.96) | ALDH1A1CYP1A2CYP2D6CYP2C19HTR1A | |
| SCHEMBL14288506 | 1.00 | ALDH1A1 (0.96) | ALDH1A1CYP1A2CYP2D6CYP2C19HTR1A | |
| SCHEMBL13261683 | 0.98 | ALDH1A1 (0.92) | ALDH1A1CYP1A2CYP2D6CYP2C19HTR1A | |
| SCHEMBL14670200 | 0.92 | ALDH1A1 (0.81) | ALDH1A1CYP1A2CYP2D6CYP2C19HTR1A | |
| SCHEMBL38660913 | 0.92 | ALDH1A1 (0.81) | ALDH1A1CYP1A2CYP2D6CYP2C19HTR1A | |
| SCHEMBL23001347 | 0.88 | ALDH1A1 (0.75) | ALDH1A1CYP1A2CYP2D6CYP2C19HTR1A | |
| SCHEMBL910697 | 0.88 | ALDH1A1 (0.75) | ALDH1A1CYP1A2CYP2D6CYP2C19HTR1A | |
| SCHEMBL11038187 | 0.88 | ALDH1A1 (0.75) | ALDH1A1CYP1A2CYP2D6CYP2C19HTR1A | |
| SCHEMBL14393531 | 0.88 | ALDH1A1 (0.75) | ALDH1A1CYP1A2CYP2D6CYP2C19HTR1A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0899259-B1 | Process for the preparation of cis-hexahydroisoindolines | YUKI GOSEI YAKUHIN KOGYO KK (JP) | 2004-10-13 | — | — | EP | disclosed |
| US-5932744-A | Process for the preparation of cis-hexahydroisoindoline derivatives | YUKI GOSEI KOGYO CO., LTD. (JP) | 1999-08-03 | — | — | US | disclosed |
| EP-0899259-A1 | Process for the preparation of cis-hexahydroisoindolines | YUKI GOSEI KOGYO CO., LTD. (JP) | 1999-03-03 | — | — | EP | disclosed |