Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 4/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 3/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.37 |
| ▸ | RECQL | P46063 | 1/20 | 0.37 |
| ▸ | NR4A2 | P43354 | 2/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL30087915 | 1.00 | ALDH1A1 (0.40) | ALDH1A1LMNAMEN1KMT2AHTT | |
| SCHEMBL30087787 | 0.83 | ALDH1A1 (0.40) | ALDH1A1LMNAMEN1KMT2AHTT | |
| SCHEMBL30087782 | 0.83 | ALDH1A1 (0.40) | ALDH1A1LMNAMEN1KMT2AHTT | |
| SCHEMBL28603297 | 0.83 | ALDH1A1 (0.40) | ALDH1A1LMNAMEN1KMT2AHTT | |
| SCHEMBL21921426 | 0.82 | BCHE (0.44) | ALDH1A1MEN1KMT2AKDM4E | |
| SCHEMBL30087866 | 0.77 | ROCK2 (0.40) | ALDH1A1MEN1KMT2AKDM4EGAA | |
| SCHEMBL28610110 | 0.77 | ROCK2 (0.40) | ALDH1A1MEN1KMT2AKDM4EGAA | |
| SCHEMBL28309027 | 0.71 | LMNA (0.62) | ALDH1A1LMNAMEN1KMT2AHTT | |
| SCHEMBL28309753 | 0.70 | MEN1 (0.59) | ALDH1A1LMNAMEN1KMT2AHTT | |
| SCHEMBL28308952 | 0.67 | CYP3A4 (0.59) | ALDH1A1LMNAMEN1KMT2AMAPT |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113015526-A | Spirocyclic 2, 3-dihydro-7-azaindole compounds and uses thereof | 豪夫迈·罗氏有限公司 | 2021-06-22 | — | — | CN | disclosed |