Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 4/20 | 0.41 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.41 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.41 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.41 |
| ▸ | CFTR | P13569 | 2/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | HPGD | P15428 | 3/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | ESR1 | P03372 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | CASP1 | P29466 | 1/20 | 0.36 |
| ▸ | CASP7 | P55210 | 1/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 3/20 | 0.35 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL8892900 | 0.87 | ADORA2A (0.43) | ADORA2AADORA1ADORA3ADORA2BCFTR | |
| SCHEMBL8901213 | 0.86 | ALDH1A1 (0.38) | ADORA2AADORA1ADORA3ADORA2BKDM4E | |
| SCHEMBL8892526 | 0.84 | ADORA3 (0.47) | ADORA2AADORA1ADORA3ADORA2BPTGS1 | |
| SCHEMBL8894617 | 0.83 | ADORA3 (0.38) | ADORA3KDM4EALDH1A1HPGDKMT2A | |
| SCHEMBL8891105 | 0.82 | ADORA3 (0.39) | ADORA3ALDH1A1KMT2AMEN1MAPT | |
| SCHEMBL8902589 | 0.79 | KMT2A (0.39) | KDM4EALDH1A1KMT2AMEN1MAPT | |
| SCHEMBL8901564 | 0.76 | ALDH1A1 (0.34) | ALDH1A1HPGDKMT2ALMNACYP1A2 | |
| Trifluoroacetic Acid SCHEMBL8894379 | 0.73 | NEU3 (0.33) | CFTRKDM4EALDH1A1HPGDHSD17B10 | |
| Trifluoroacetic Acid SCHEMBL8901207 | 0.72 | ALDH1A1 (0.40) | ADORA2AADORA1ADORA3ADORA2BKDM4E | |
| SCHEMBL8900955 | 0.72 | SCN3A (0.41) | ADORA2AADORA1ADORA3KDM4EALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1997033872-A1 | ANTI-VIRAL 4-ACYLAMINO-3-[IMIDAZOL-I-YL]-BENZOIC ACID DERIVATIVES | BIOTA SCIENTIFIC MANAGEMENT PTY. LTD. (AU) | 1997-09-18 | — | — | WO | disclosed |