Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.44 |
| ▸ | CES1 | P23141 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 4/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 3/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.39 |
| ▸ | GAA | P10253 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 3/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL21047313 | 1.00 | CES2 (0.44) | CES2CES1SMN1; SMN2ALDH1A1POLB | |
| SCHEMBL312535 | 0.84 | CES2 (0.47) | CES2CES1SMN1; SMN2ALDH1A1POLB | |
| SCHEMBL16111871 | 0.81 | ERCC5 (0.46) | SMN1; SMN2ALDH1A1POLBNPSR1MAPT | |
| SCHEMBL25415875 | 0.81 | MAPT (0.47) | CES2CES1SMN1; SMN2ALDH1A1POLB | |
| SCHEMBL30271604 | 0.80 | ERCC5 (0.61) | CES2CES1SMN1; SMN2ALDH1A1POLB | |
| SCHEMBL1739431 | 0.80 | ERCC5 (0.61) | CES2CES1SMN1; SMN2ALDH1A1POLB | |
| SCHEMBL1958113 | 0.79 | TSHR (0.57) | CES2CES1ALDH1A1NPSR1MAPT | |
| SCHEMBL18490176 | 0.77 | KDM4E (0.46) | SMN1; SMN2ALDH1A1POLBNPSR1MAPT | |
| SCHEMBL11274655 | 0.77 | CES2 (0.46) | CES2CES1ALDH1A1NPSR1MAPT | |
| SCHEMBL28123449 | 0.76 | ALDH1A1 (0.41) | SMN1; SMN2ALDH1A1POLBNPSR1MAPT |
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-109563085-B | Piperidine CXCR7 receptor modulators | 爱杜西亚药品有限公司 | 2022-08-09 | — | — | CN | disclosed |
| CN-110563717-B | Piperidine CXCR7 receptor modulators | 爱杜西亚药品有限公司 | 2022-08-09 | — | — | CN | disclosed |