Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 10/20 | 0.76 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.60 |
| ▸ | LMNA | P02545 | 3/20 | 0.60 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.60 |
| ▸ | RAB9A | P51151 | 3/20 | 0.60 |
| ▸ | MAPT | P10636 | 3/20 | 0.60 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.60 |
| ▸ | NPC1 | O15118 | 2/20 | 0.60 |
| ▸ | GAA | P10253 | 2/20 | 0.60 |
| ▸ | HPGD | P15428 | 2/20 | 0.60 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.60 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.53 |
| ▸ | ATM | Q13315 | 1/20 | 0.53 |
| ▸ | TP53 | P04637 | 1/20 | 0.53 |
| ▸ | MEN1 | O00255 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.52 |
| ▸ | CDC7 | O00311 | 1/20 | 0.52 |
| ▸ | DBF4 | Q9UBU7 | 1/20 | 0.52 |
| ▸ | GRM6 | O15303 | 2/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL7681107 | 0.84 | ADORA3 (0.78) | ADORA3ALDH1A1LMNASMN1; SMN2RAB9A | |
| SCHEMBL10377752 | 0.81 | ADORA3 (0.63) | ADORA3ALDH1A1LMNASMN1; SMN2RAB9A | |
| SCHEMBL7686721 | 0.81 | ADORA3 (1.00) | ADORA3ALDH1A1LMNASMN1; SMN2RAB9A | |
| SCHEMBL13780197 | 0.81 | ADORA3 (0.74) | ADORA3ALDH1A1LMNASMN1; SMN2RAB9A | |
| SCHEMBL28335019 | 0.78 | ADORA3 (0.63) | ADORA3ALDH1A1LMNASMN1; SMN2RAB9A | |
| SCHEMBL7678825 | 0.78 | ADORA3 (1.00) | ADORA3ALDH1A1LMNASMN1; SMN2RAB9A | |
| SCHEMBL28199496 | 0.78 | ADORA3 (0.67) | ADORA3ALDH1A1LMNASMN1; SMN2RAB9A | |
| SCHEMBL30189329 | 0.78 | ADORA3 (0.63) | ADORA3ALDH1A1LMNASMN1; SMN2RAB9A | |
| SCHEMBL9269469 | 0.78 | ADORA3 (0.59) | ADORA3ALDH1A1LMNASMN1; SMN2RAB9A | |
| SCHEMBL30040702 | 0.78 | ALDH1A1 (0.68) | ADORA3ALDH1A1LMNASMN1; SMN2RAB9A |
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-107721917-A | A kind of green synthesis method of polysubstituted nicotinate compound | 河南理工大学 | 2018-02-23 | — | — | CN | disclosed |