Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | ADORA3 | P0DMS8 | 5/20 | 0.37 |
| ▸ | ADORA2A | P29274 | 5/20 | 0.37 |
| ▸ | ADORA1 | P30542 | 5/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | HCAR2 | Q8TDS4 | 2/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | KDM6B | O15054 | 1/20 | 0.36 |
| ▸ | KDM4A | O75164 | 1/20 | 0.36 |
| ▸ | KDM5C | P41229 | 1/20 | 0.36 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.36 |
| ▸ | KDM2A | Q9Y2K7 | 1/20 | 0.36 |
| ▸ | KDM3A | Q9Y4C1 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | GLO1 | Q04760 | 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 | |
|---|---|---|---|---|
| SCHEMBL1878731 | 0.91 | ADORA3 (0.39) | ALDH1A1SMN1; SMN2ADORA3ADORA2AADORA1 | |
| SCHEMBL17023228 | 0.83 | ALDH1A1 (0.39) | ALDH1A1SMN1; SMN2ADORA3ADORA2AADORA1 | |
| SCHEMBL17023211 | 0.78 | ADORA3 (0.37) | ALDH1A1SMN1; SMN2ADORA3ADORA2AADORA1 | |
| SCHEMBL4563488 | 0.76 | SMN1; SMN2 (0.44) | ALDH1A1SMN1; SMN2ADORA3ADORA2AADORA1 | |
| SCHEMBL23005604 | 0.73 | MEN1 (0.53) | ALDH1A1SMN1; SMN2ADORA3ADORA2AADORA1 | |
| SCHEMBL21236712 | 0.71 | ADORA2A (0.44) | ADORA3ADORA2AADORA1KDM4EKDM6B | |
| SCHEMBL1875570 | 0.71 | KMT2A (0.48) | ALDH1A1SMN1; SMN2ADORA3ADORA2AADORA1 | |
| SCHEMBL1874546 | 0.71 | LMNA (0.59) | ALDH1A1SMN1; SMN2MEN1KMT2AKDM4E | |
| SCHEMBL21224988 | 0.70 | KMT2A (0.47) | ALDH1A1SMN1; SMN2ADORA3ADORA2AADORA1 | |
| SCHEMBL21225118 | 0.70 | KMT2A (0.47) | ALDH1A1SMN1; SMN2ADORA3ADORA2AADORA1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2059503-B1 | AMINOPYRAZOLE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF, AND COMPOSITION FOR PREVENTING OR TREATING ISCHEMIC DISEASES CONTAINING THE SAME | KOREA RES INST CHEM TECH (KR) | 2015-08-26 | — | — | EP | claimed |
| EP-2059503-B1 | AMINOPYRAZOLE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF, AND COMPOSITION FOR PREVENTING OR TREATING ISCHEMIC DISEASES CONTAINING THE SAME | KOREA RES INST CHEM TECH (KR) | 2015-08-26 | — | — | EP | disclosed |