Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS1 | P29475 | 2/20 | 0.39 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | GUSB | P08236 | 3/20 | 0.36 |
| ▸ | AURKA | O14965 | 1/20 | 0.35 |
| ▸ | KIF11 | P52732 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | APEX1 | P27695 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.33 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.33 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.32 |
| ▸ | NR4A2 | P43354 | 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 | |
|---|---|---|---|---|
| SCHEMBL29751072 | 1.00 | NOS1 (0.39) | NOS1DYRK1AHTTHSD17B10GUSB | |
| SCHEMBL23360456 | 0.79 | SMN1; SMN2 (0.38) | NOS1DYRK1AHTTAURKASMN1; SMN2 | |
| SCHEMBL29862595 | 0.79 | SMN1; SMN2 (0.38) | NOS1DYRK1AHTTAURKASMN1; SMN2 | |
| SCHEMBL27635367 | 0.79 | CCR1 (0.52) | NOS1AURKASMN1; SMN2CYP2A6 | |
| SCHEMBL21114788 | 0.79 | NOS1 (0.37) | NOS1DYRK1AHTTHSD17B10GUSB | |
| SCHEMBL31505370 | 0.75 | PARP1 (0.38) | — | |
| SCHEMBL31010906 | 0.75 | RAB9A (0.40) | CYP2C9SMN1; SMN2NPC1CYP2A6 | |
| SCHEMBL31505373 | 0.75 | PARP1 (0.38) | — | |
| SCHEMBL25322668 | 0.75 | RAB9A (0.40) | CYP2C9SMN1; SMN2NPC1CYP2A6 | |
| SCHEMBL27940876 | 0.75 | KDM4E (0.44) | AURKAKIF11NPC1 |
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-114685351-B | OLED main body material based on triptycene framework and preparation method and application thereof | 中国科学院化学研究所 | 2023-04-18 | — | — | CN | disclosed |
| CN-114685351-A | OLED main body material based on triptycene framework and preparation method and application thereof | 中国科学院化学研究所 | 2022-07-01 | — | — | CN | disclosed |