Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | CCR1 | P32246 | 2/20 | 0.35 |
| ▸ | CCR5 | P51681 | 2/20 | 0.35 |
| ▸ | CCR8 | P51685 | 2/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.35 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | PSMD14 | O00487 | 1/20 | 0.34 |
| ▸ | COPS5 | Q92905 | 1/20 | 0.34 |
| ▸ | IDO1 | P14902 | 1/20 | 0.34 |
| ▸ | DPP4 | P27487 | 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 | |
|---|---|---|---|---|
| SCHEMBL28486433 | 0.83 | PDE2A (0.36) | ALDH1A1RAB9AKDM4ENPC1CYP2A6 | |
| SCHEMBL28338132 | 0.83 | ALDH1A1 (0.42) | ALDH1A1ROCK1RAB9AKDM4ENPC1 | |
| SCHEMBL28492642 | 0.82 | SLC6A2 (0.45) | ALDH1A1KDM4ECYP2A6CYP1A2MAPT | |
| SCHEMBL30704292 | 0.80 | CDC7 (0.39) | ALDH1A1KDM4EMAPTL3MBTL1 | |
| SCHEMBL29134584 | 0.80 | CDC7 (0.39) | ALDH1A1KDM4EMAPTL3MBTL1 | |
| SCHEMBL28492637 | 0.80 | ALDH1A1 (0.39) | ALDH1A1ROCK1RAB9AKDM4ENPC1 | |
| SCHEMBL29134576 | 0.79 | HSD17B10 (0.47) | ALDH1A1KDM4ETDP1MAPTSMN1; SMN2 | |
| SCHEMBL28487805 | 0.76 | MEN1 (0.38) | ALDH1A1MAPTSMN1; SMN2L3MBTL1 | |
| SCHEMBL11723689 | 0.75 | ALDH1A1 (0.44) | ALDH1A1RAB9AKDM4ENPC1CYP2A6 | |
| SCHEMBL28371918 | 0.72 | ROCK1 (0.57) | ALDH1A1ROCK1CYP2A6CYP1A2CCR1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112047870-B | Preparation method of 7-alkyl indole derivative | 浙江工业大学 | 2021-10-12 | — | — | CN | claimed |
| CN-112047870-A | Preparation method of 7-alkyl indole derivative | 浙江工业大学 | 2020-12-08 | — | — | CN | claimed |
| CN-117343044-A | Synthesis method of 2-methyl-1- (pyridine-2-yl) indole compound | 太原理工大学 | 2024-01-05 | — | — | CN | disclosed |
| CN-112047870-B | Preparation method of 7-alkyl indole derivative | 浙江工业大学 | 2021-10-12 | — | — | CN | disclosed |
| CN-112047870-A | Preparation method of 7-alkyl indole derivative | 浙江工业大学 | 2020-12-08 | — | — | CN | disclosed |