Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 4/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | ESR1 | P03372 | 1/20 | 0.42 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | GPR88 | Q9GZN0 | 1/20 | 0.41 |
| ▸ | CHRM2 | P08172 | 3/20 | 0.40 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.40 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.40 |
| ▸ | HTR2C | P28335 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | ADRA2C | P18825 | 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 | |
|---|---|---|---|---|
| SCHEMBL28594122 | 0.93 | L3MBTL1 (0.46) | KMT2AALDH1A1PKMSMN1; SMN2ESR1 | |
| SCHEMBL28609046 | 0.93 | L3MBTL1 (0.46) | KMT2AALDH1A1PKMSMN1; SMN2ESR1 | |
| SCHEMBL28918870 | 0.92 | GPR88 (0.53) | KMT2AALDH1A1CYP1A2CYP2D6SMN1; SMN2 | |
| SCHEMBL28608660 | 0.92 | L3MBTL1 (0.49) | KMT2AALDH1A1NPSR1ESR1ESR2 | |
| SCHEMBL28596422 | 0.92 | KMT2A (0.43) | KMT2AALDH1A1CYP1A2CYP2D6NPSR1 | |
| SCHEMBL28604182 | 0.92 | GPR88 (0.53) | KMT2AALDH1A1CYP1A2CYP2D6SMN1; SMN2 | |
| SCHEMBL28591748 | 0.88 | KMT2A (0.42) | KMT2AALDH1A1CYP2D6MEN1CYP2C19 | |
| SCHEMBL28596538 | 0.88 | TDP1 (0.43) | KMT2ACYP2D6MEN1CYP2C19PTGS1 | |
| SCHEMBL28591729 | 0.88 | KMT2A (0.47) | KMT2AALDH1A1NPSR1MEN1LMNA | |
| SCHEMBL5812804 | 0.83 | KMT2A (0.60) | KMT2ACYP1A2ESR1ESR2MEN1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112898213-A | Polysubstituted 1, 3-diene supported ring compound and application thereof | 中国科学院上海药物研究所 | 2021-06-04 | — | — | CN | disclosed |