Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.64 |
| ▸ | HPGD | P15428 | 3/20 | 0.64 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.64 |
| ▸ | LMNA | P02545 | 2/20 | 0.64 |
| ▸ | GLA | P06280 | 1/20 | 0.64 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.64 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.63 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.58 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.58 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.58 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.58 |
| ▸ | RAB9A | P51151 | 3/20 | 0.52 |
| ▸ | HTT | P42858 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | RECQL | P46063 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL28569414 | 0.80 | ALDH1A1 (0.60) | ALDH1A1HPGDKDM4ELMNAGLA | |
| SCHEMBL13451336 | 0.72 | NPSR1 (0.57) | ALDH1A1HPGDKDM4ELMNAGLA | |
| SCHEMBL27903404 | 0.72 | RAB9A (0.76) | ALDH1A1HPGDNPSR1SMN1; SMN2CYP1A2 | |
| SCHEMBL5640127 | 0.71 | LMNA (0.67) | ALDH1A1HPGDLMNAMAPK1KMT2A | |
| SCHEMBL18150638 | 0.70 | HTT (0.53) | MAPK1SMN1; SMN2CYP3A4HTTKMT2A | |
| SCHEMBL6815003 | 0.70 | ALDH1A1 (0.54) | ALDH1A1HPGDKDM4ELMNAGLA | |
| SCHEMBL1812216 | 0.70 | ALDH1A1 (0.62) | ALDH1A1LMNANPSR1SMN1; SMN2RAB9A | |
| SCHEMBL9329665 | 0.70 | ALDH1A1 (0.62) | ALDH1A1HPGDKDM4ELMNAGLA | |
| SCHEMBL28811179 | 0.70 | ALDH1A1 (0.71) | ALDH1A1LMNARAB9AKMT2AGAA | |
| SCHEMBL22307426 | 0.70 | MAPT (0.61) | ALDH1A1HPGDKDM4ELMNAGLA |
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-112759564-B | Diaryl urea compound and its prepn and medicinal use | 中国医学科学院药物研究所 | 2023-09-26 | — | — | CN | disclosed |
| CN-112759564-A | Diaryl urea compound and its preparation method and medicinal use | 中国医学科学院药物研究所 | 2021-05-07 | — | — | CN | disclosed |