Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM5 | P41594 | 8/20 | 0.49 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.48 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.44 |
| ▸ | DRD2 | P14416 | 1/20 | 0.42 |
| ▸ | DRD3 | P35462 | 1/20 | 0.42 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL30473326 | 1.00 | GRM5 (0.49) | GRM5NOTUMESR2DRD2DRD3 | |
| SCHEMBL29028701 | 0.78 | ESR2 (0.41) | ESR2MAPTMEN1NPC1LMNA | |
| SCHEMBL12074965 | 0.77 | GRM5 (0.40) | GRM5KDM4EALDH1A1 | |
| SCHEMBL29885024 | 0.76 | ESR2 (0.47) | ESR2MAPTMEN1NPC1LMNA | |
| SCHEMBL28748736 | 0.76 | ESR2 (0.47) | ESR2MAPTMEN1NPC1LMNA | |
| SCHEMBL29472995 | 0.76 | ADORA3 (0.57) | ESR2MAPTMEN1NPC1LMNA | |
| SCHEMBL2627243 | 0.76 | ESR2 (0.47) | ESR2MAPTMEN1NPC1LMNA | |
| SCHEMBL28748705 | 0.76 | ADORA3 (0.57) | NOTUMESR2MAPTMEN1NPC1 | |
| SCHEMBL28550590 | 0.76 | PARP1 (0.56) | NOTUMESR2MAPTMEN1NPC1 | |
| SCHEMBL29472998 | 0.76 | PARP1 (0.56) | NOTUMESR2MAPTMEN1NPC1 |
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-116332851-A | Cyanomethyl phenyl indazole compound and preparation method thereof | 河南中医药大学 | 2023-06-27 | — | — | CN | disclosed |