Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.54 |
| ▸ | PARP14 | Q460N5 | 1/20 | 0.50 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.48 |
| ▸ | HTT | P42858 | 2/20 | 0.48 |
| ▸ | MAPT | P10636 | 5/20 | 0.47 |
| ▸ | POLB | P06746 | 4/20 | 0.47 |
| ▸ | LMNA | P02545 | 4/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | CES2 | O00748 | 1/20 | 0.46 |
| ▸ | CES1 | P23141 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.44 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL1581647 | 0.85 | SLC18A3 (0.48) | ALDH1A1KMT2AMAPTPOLBLMNA | |
| SCHEMBL8596155 | 0.85 | PARP14 (0.62) | ALDH1A1PARP14PARP10HPGDKDM4E | |
| SCHEMBL6599138 | 0.82 | SLC18A3 (0.47) | ALDH1A1KMT2AMAPTLMNAHPGD | |
| SCHEMBL28539303 | 0.81 | RIPK1 (0.47) | ALDH1A1KMT2AHTTMAPTLMNA | |
| SCHEMBL7729871 | 0.79 | TSHR (0.66) | ALDH1A1PARP14PARP10KMT2ALMNA | |
| SCHEMBL24497004 | 0.78 | ALDH1A1 (0.52) | ALDH1A1KMT2AMAPTLMNAKDM4E | |
| SCHEMBL29068350 | 0.78 | CYP1A2 (0.57) | ALDH1A1KMT2AMAPTPOLBLMNA | |
| SCHEMBL27261597 | 0.77 | PREP (0.55) | ALDH1A1PARP14PARP10KMT2APOLB | |
| SCHEMBL1844593 | 0.76 | MAPT (0.55) | ALDH1A1PARP14PARP10HTTMAPT | |
| SCHEMBL16565652 | 0.75 | SCD (0.60) | PARP14PARP10HSP90AA1HSP90AB1 |
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-111285872-B | Indole-2-ketone derivative and preparation method and application thereof | 北京志健金瑞生物医药科技有限公司 | 2022-05-17 | — | — | CN | disclosed |
| CN-111285872-A | Indole-2-ketone derivative and preparation method and application thereof | 北京志健金瑞生物医药科技有限公司 | 2020-06-16 | — | — | CN | disclosed |