Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA1 | P30542 | 3/20 | 0.40 |
| ▸ | CDC7 | O00311 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | LMNA | P02545 | 3/20 | 0.37 |
| ▸ | HTT | P42858 | 2/20 | 0.37 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.36 |
| ▸ | TYK2 | P29597 | 1/20 | 0.36 |
| ▸ | MAP4K1 | Q92918 | 1/20 | 0.36 |
| ▸ | FFAR2 | O15552 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.35 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL20832591 | 1.00 | ADORA1 (0.40) | ADORA1CDC7ALDH1A1LMNAHTT | |
| SCHEMBL28891555 | 0.83 | ADORA1 (0.45) | ADORA1CDC7ALDH1A1LMNAHTT | |
| SCHEMBL28891554 | 0.83 | ADORA1 (0.45) | ADORA1CDC7ALDH1A1LMNAHTT | |
| SCHEMBL15358651 | 0.80 | ADORA1 (0.45) | ADORA1CDC7ALDH1A1LMNAHTT | |
| Hydrochloric Acid SCHEMBL15350011 | 0.79 | ADORA1 (0.44) | ADORA1CDC7ALDH1A1LMNAHTT | |
| SCHEMBL20832590 | 0.75 | CDC7 (0.44) | ADORA1CDC7ALDH1A1LMNAHTT | |
| SCHEMBL19699460 | 0.73 | L3MBTL1 (0.51) | ADORA1CDC7LMNANPC1RAB9A | |
| SCHEMBL22186399 | 0.71 | KDM4E (0.65) | ADORA1CDC7ALDH1A1LMNAHTT | |
| SCHEMBL23015811 | 0.69 | KDM4E (0.43) | ADORA1CDC7LMNANPC1RAB9A | |
| SCHEMBL23015805 | 0.69 | KIF11 (0.40) | CDC7FFAR2NPC1RAB9AKDM4E |
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-111315726-A | Heteroaryl substituted β -hydroxyethylamines for the treatment of hyperglycemia | 阿托基公司 | 2020-06-19 | — | — | CN | disclosed |
| WO-2019053427-A1 | HETEROARYL SUBSTITUTED BETA-HYDROXYETHYLAMINES FOR USE IN TREATING HYPERGLYCAEMIA | ATROGI AB (SE) | 2019-03-21 | — | — | WO | disclosed |