Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1I2 | O75469 | 1/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.49 |
| ▸ | TSHR | P16473 | 3/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | POLB | P06746 | 2/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | RECQL | P46063 | 1/20 | 0.45 |
| ▸ | FKBP1A | P62942 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.40 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.40 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.40 |
| ▸ | S1PR5 | Q9H228 | 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 | |
|---|---|---|---|---|
| SCHEMBL9660004 | 0.94 | NR1I2 (0.48) | NR1I2KDM4ETSHRSMN1; SMN2POLB | |
| SCHEMBL9659925 | 0.94 | NR1I2 (0.48) | NR1I2KDM4ETSHRSMN1; SMN2POLB | |
| SCHEMBL9659929 | 0.94 | NR1I2 (0.48) | NR1I2KDM4ETSHRSMN1; SMN2POLB | |
| SCHEMBL9660008 | 0.94 | NR1I2 (0.48) | NR1I2KDM4ETSHRSMN1; SMN2POLB | |
| SCHEMBL18948659 | 0.90 | KDM4E (0.51) | NR1I2KDM4ETSHRSMN1; SMN2POLB | |
| SCHEMBL19349864 | 0.88 | KDM4E (0.47) | NR1I2KDM4ETSHRSMN1; SMN2POLB | |
| SCHEMBL14115082 | 0.86 | NR1I2 (0.54) | NR1I2TSHRSMN1; SMN2POLBCYP3A4 | |
| SCHEMBL1953381 | 0.86 | KDM4E (0.50) | NR1I2KDM4ETSHRSMN1; SMN2POLB | |
| SCHEMBL15434618 | 0.86 | NR1I2 (0.54) | NR1I2TSHRSMN1; SMN2POLBCYP3A4 | |
| SCHEMBL1953383 | 0.86 | KDM4E (0.50) | NR1I2KDM4ETSHRSMN1; SMN2POLB |
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-115093355-B | Preparation method of pyrrole ester compound | 河南农业大学 | 2024-06-04 | — | — | CN | disclosed |
| CN-115093355-A | Preparation method of pyrrole ester compound | 河南农业大学 | 2022-09-23 | — | — | CN | disclosed |