Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 3/20 | 0.46 |
| ▸ | ADORA2B | P29275 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | KMO | O15229 | 1/20 | 0.39 |
| ▸ | SLC22A12 | Q96S37 | 7/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | GLS | O94925 | 1/20 | 0.34 |
| ▸ | HASPIN | Q8TF76 | 1/20 | 0.33 |
| ▸ | PIM1 | P11309 | 1/20 | 0.33 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.33 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 2/20 | 0.33 |
| ▸ | HTR2C | P28335 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | HTR2B | P41595 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL7778203 | 0.88 | ADORA2A (0.51) | ADORA2AADORA2BALDH1A1KMOSLC22A12 | |
| Ammonia Solution, Strong SCHEMBL905953 | 0.84 | ADORA2A (0.64) | ADORA2AADORA2BKMOSLC22A12KMT2A | |
| SCHEMBL905951 | 0.79 | HTR2A (0.49) | ADORA2AADORA2BSLC22A12KMT2AHTR2A | |
| SCHEMBL16682138 | 0.78 | HASPIN (0.50) | ADORA2AADORA2BALDH1A1KMOSLC22A12 | |
| SCHEMBL13106188 | 0.77 | ADORA2A (0.60) | ADORA2AADORA2BPIM1PIM2 | |
| Fumaric Acid SCHEMBL5682009 | 0.75 | ADORA2A (0.51) | ADORA2AADORA2BKMOSLC22A12 | |
| Ammonia Solution, Strong SCHEMBL905695 | 0.71 | ADORA2A (0.72) | ADORA2AADORA2BKMOSLC22A12KMT2A | |
| SCHEMBL7778389 | 0.71 | SLC22A12 (0.35) | ADORA2AADORA2BALDH1A1KMOSLC22A12 | |
| Fumaric Acid SCHEMBL5682016 | 0.71 | HTR2A (0.41) | KMOSLC22A12HTR2AHTR2CCYP1A2 | |
| Fumaric Acid SCHEMBL5682001 | 0.71 | HTR2A (0.41) | KMOSLC22A12HTR2AHTR2CCYP1A2 |
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-1129078-A2 | INDAZOLE DERIVATIVES WITH 5-HT2 RECEPTOR ACTIVITY | VERNALIS RESEARCH LIMITED (GB) | 2001-09-05 | — | — | EP | disclosed |
| WO-2000012481-A2 | INDAZOLE DERIVATIVES WITH 5-HT2 RECEPTOR ACTIVITY________________ | VERNALIS RESEARCH LIMITED (GB) | 2000-03-09 | — | — | WO | disclosed |