Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 4/20 | 0.54 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.54 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.54 |
| ▸ | BACE1 | P56817 | 5/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | ESR1 | P03372 | 1/20 | 0.44 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.44 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.44 |
| ▸ | HMGB1 | P09429 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | GGT1 | P19440 | 1/20 | 0.44 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.44 |
| ▸ | BLM | P54132 | 1/20 | 0.44 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL27325002 | 0.83 | ADORA3 (0.56) | ADORA3ADORA2AADORA1BACE1MAPK1 | |
| SCHEMBL8676657 | 0.82 | MAPK1 (0.60) | ADORA3ADORA2AADORA1BACE1MAPK1 | |
| SCHEMBL10596845 | 0.79 | MAPK1 (0.57) | ADORA3ADORA2AADORA1BACE1MAPK1 | |
| SCHEMBL9862053 | 0.79 | BACE1 (0.55) | ADORA3ADORA2AADORA1BACE1MAPK1 | |
| SCHEMBL8515697 | 0.78 | BACE1 (0.57) | ADORA3ADORA2AADORA1BACE1MAPK1 | |
| SCHEMBL27559161 | 0.76 | BACE1 (0.58) | ADORA3ADORA2AADORA1BACE1MAPK1 | |
| SCHEMBL10492008 | 0.76 | MAPK1 (0.47) | ADORA3ADORA2AADORA1MAPK1KDM4E | |
| SCHEMBL8423158 | 0.76 | BACE1 (0.55) | ADORA3ADORA2AADORA1BACE1MAPK1 | |
| SCHEMBL318039 | 0.75 | TSHR (0.49) | BACE1MAPK1KDM4EALDH1A1TSHR | |
| SCHEMBL3158687 | 0.75 | PTPN1 (0.63) | MAPK1TDP1ALDH1A1HPGDPTGS2 |
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 |
|---|---|---|---|---|---|---|---|
| US-4107329-A | Fluorinated compounds as therapeutics | IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) | 1978-08-15 | — | — | US | disclosed |