Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.48 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | GPR3 | P46089 | 2/20 | 0.44 |
| ▸ | HPRT1 | P00492 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 3/20 | 0.43 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | APEX1 | P27695 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL29522531 | 0.98 | CYP3A4 (0.59) | CYP3A4ALDH1A1HSD17B10CYP2A6TSHR | |
| SCHEMBL406931 | 0.98 | CYP3A4 (0.59) | CYP3A4ALDH1A1HSD17B10CYP2A6TSHR | |
| SCHEMBL30547075 | 0.98 | CYP3A4 (0.59) | CYP3A4ALDH1A1HSD17B10CYP2A6TSHR | |
| SCHEMBL28411533 | 0.96 | CYP3A4 (0.57) | CYP3A4ALDH1A1HSD17B10CYP2A6TSHR | |
| SCHEMBL30772481 | 0.94 | CYP3A4 (0.55) | CYP3A4ALDH1A1HSD17B10CYP2A6TSHR | |
| SCHEMBL9038878 | 0.94 | CYP3A4 (0.55) | CYP3A4ALDH1A1HSD17B10CYP2A6TSHR | |
| Alcohol SCHEMBL28509318 | 0.88 | CYP3A4 (0.49) | CYP3A4ALDH1A1HSD17B10CYP2A6TSHR | |
| SCHEMBL4651081 | 0.82 | ALDH1A1 (0.45) | CYP3A4ALDH1A1HSD17B10TDP1GPR3 | |
| SCHEMBL31619715 | 0.82 | ALDH1A1 (0.45) | CYP3A4ALDH1A1HSD17B10TDP1GPR3 | |
| Benzonaphthyridine SCHEMBL11311822 | 0.78 | GPR3 (0.58) | CYP3A4ALDH1A1HSD17B10CYP2A6TDP1 |
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-114602395-B | Organic aerogel sheet having surface wrinkles and method for preparing the same | 西安理工大学 | 2022-11-08 | — | — | CN | disclosed |
| CN-113078327-A | Preparation method of carbon aerogel containing bimetallic site and application of aluminum-air battery | 中南大学 | 2021-07-06 | — | — | CN | disclosed |