Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | ADORA2B | P29275 | 4/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | ESR1 | P03372 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | PDE4A | P27815 | 1/20 | 0.41 |
| ▸ | BLM | P54132 | 1/20 | 0.41 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.41 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.41 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.40 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.40 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | TNF | P01375 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL17682113 | 0.81 | ADORA2B (0.65) | ADORA2BLMNACYP1A2NFKB1ACHE | |
| SCHEMBL19245916 | 0.81 | ADORA2B (0.49) | ADORA2BLMNAESR1CYP1A2MAPT | |
| SCHEMBL7029350 | 0.80 | LMNA (0.51) | KMT2AADORA2BLMNAESR1CYP1A2 | |
| SCHEMBL19607724 | 0.78 | KMT2A (0.50) | KMT2AADORA2BLMNAESR1CYP1A2 | |
| SCHEMBL18256060 | 0.77 | KMT2A (0.66) | KMT2AADORA2BLMNAMAPTPOLB | |
| SCHEMBL19607604 | 0.77 | PDE4A (0.46) | KMT2AADORA2BLMNAESR1CYP1A2 | |
| SCHEMBL24611658 | 0.77 | KMT2A (0.49) | KMT2AADORA2BLMNAESR1CYP1A2 | |
| SCHEMBL18819712 | 0.77 | KMT2A (0.47) | KMT2AADORA2BLMNAESR1CYP1A2 | |
| SCHEMBL19607817 | 0.76 | KMT2A (0.46) | KMT2AADORA2BLMNAESR1CYP1A2 | |
| SCHEMBL18256137 | 0.75 | KMT2A (0.66) | KMT2AADORA2BLMNAMAPTPOLB |
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-2017071606-A1 | MEDICAL USE OF HYDROXYL PURINE COMPOUND | 南京明德新药研发股份有限公司 | 2017-05-04 | — | — | WO | disclosed |