Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 4/20 | 0.73 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.69 |
| ▸ | PDE10A | Q9Y233 | 2/20 | 0.66 |
| ▸ | HCAR2 | Q8TDS4 | 4/20 | 0.64 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.64 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.62 |
| ▸ | MAOB | P27338 | 1/20 | 0.62 |
| ▸ | DAO | P14920 | 1/20 | 0.59 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.58 |
| ▸ | TUBB | P07437 | 1/20 | 0.58 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.58 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.58 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.58 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.58 |
| ▸ | TUBB3 | Q13509 | 1/20 | 0.58 |
| ▸ | TUBB2A | Q13885 | 1/20 | 0.58 |
| ▸ | TUBB8 | Q3ZCM7 | 1/20 | 0.58 |
| ▸ | TUBA3E | Q6PEY2 | 1/20 | 0.58 |
| ▸ | TUBA1A | Q71U36 | 1/20 | 0.58 |
| ▸ | TUBA1C | Q9BQE3 | 1/20 | 0.58 |
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 | |
|---|---|---|---|---|
| SCHEMBL30176852 | 0.97 | PARP1 (0.73) | PARP1KMT2APDE10AHCAR2PARP2 | |
| SCHEMBL29764103 | 0.90 | PDE10A (0.74) | PARP1KMT2APDE10APARP2TNKS2 | |
| SCHEMBL11288070 | 0.90 | PDE10A (0.74) | PARP1KMT2APDE10APARP2TNKS2 | |
| SCHEMBL6795593 | 0.90 | PARP1 (0.64) | PARP1KMT2APDE10AHCAR2PARP2 | |
| SCHEMBL6795780 | 0.88 | PARP1 (0.61) | PARP1KMT2APDE10AHCAR2PARP2 | |
| SCHEMBL6794867 | 0.88 | PARP1 (0.65) | PARP1KMT2APDE10AHCAR2PARP2 | |
| SCHEMBL16404338 | 0.87 | PDE10A (0.84) | PARP1KMT2APDE10APARP2TNKS2 | |
| SCHEMBL6795464 | 0.86 | PARP1 (0.63) | PARP1KMT2APDE10AHCAR2PARP2 | |
| SCHEMBL23073611 | 0.84 | PARP1 (0.73) | PARP1KMT2APDE10APARP2TNKS2 | |
| SCHEMBL168776 | 0.84 | PARP1 (1.00) | PARP1KMT2APDE10APARP2TNKS2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-112174899-B | Application of light-promoted Minisci C-H alkylation reaction in preparation of alkyl-substituted azacycle | 南开大学 | 2023-01-17 | — | — | CN | disclosed |