Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.50 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.47 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | KCNK3 | O14649 | 2/20 | 0.43 |
| ▸ | KCNK9 | Q9NPC2 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 2/20 | 0.42 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | ENPP3 | O14638 | 1/20 | 0.40 |
| ▸ | ALPL | P05186 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL30451881 | 1.00 | PARP1 (0.50) | PARP1HDAC8HDAC6SMN1; SMN2HPGD | |
| SCHEMBL25599133 | 0.82 | PARP1 (0.47) | PARP1HDAC8HDAC6SMN1; SMN2HPGD | |
| SCHEMBL28235566 | 0.79 | TPMT (0.44) | HPGDKMT2AALDH1A1MAPT | |
| SCHEMBL6555554 | 0.79 | TPMT (0.44) | HPGDKMT2AALDH1A1MAPT | |
| SCHEMBL11787753 | 0.79 | PARP1 (0.52) | PARP1HDAC8HDAC6SMN1; SMN2HPGD | |
| SCHEMBL6555550 | 0.79 | TPMT (0.44) | HPGDKMT2AALDH1A1MAPT | |
| SCHEMBL11787750 | 0.79 | PARP1 (0.52) | PARP1HDAC8HDAC6SMN1; SMN2HPGD | |
| SCHEMBL24554806 | 0.79 | POLB (0.50) | PARP1SMN1; SMN2HPGDKCNK3KCNK9 | |
| SCHEMBL8190111 | 0.79 | PARP1 (0.48) | PARP1SMN1; SMN2HPGDMEN1KMT2A | |
| SCHEMBL28609676 | 0.79 | PARP1 (0.48) | PARP1HDAC8HDAC6SMN1; SMN2HPGD |
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 |
|---|---|---|---|---|---|---|---|
| CN-112321544-B | Chiral quaternary carbon cyanide and preparation method thereof | 深圳湾实验室坪山生物医药研发转化中心 | 2023-05-26 | — | — | CN | disclosed |
| CN-112321544-A | Chiral quaternary carbon cyanide and preparation method thereof | 深圳湾实验室坪山生物医药研发转化中心 | 2021-02-05 | — | — | CN | disclosed |