Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.83 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.60 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.60 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.58 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.58 |
| ▸ | TAS1R2 | Q8TE23 | 1/20 | 0.58 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.56 |
| ▸ | TSHR | P16473 | 2/20 | 0.56 |
| ▸ | HPGD | P15428 | 2/20 | 0.56 |
| ▸ | POLB | P06746 | 2/20 | 0.54 |
| ▸ | DHODH | Q02127 | 2/20 | 0.54 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.54 |
| ▸ | HTT | P42858 | 4/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.53 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL4858887 | 1.00 | ALDH1A1 (0.83) | ALDH1A1MTNR1AMTNR1BTAS1R3TAS1R1 | |
| SCHEMBL4866618 | 1.00 | ALDH1A1 (0.83) | ALDH1A1MTNR1AMTNR1BTAS1R3TAS1R1 | |
| SCHEMBL14698658 | 1.00 | ALDH1A1 (0.83) | ALDH1A1MTNR1AMTNR1BTAS1R3TAS1R1 | |
| SCHEMBL53323 | 0.91 | ALDH1A1 (1.00) | ALDH1A1TAS1R3TAS1R1TAS1R2TSHR | |
| SCHEMBL606143 | 0.91 | ALDH1A1 (1.00) | ALDH1A1TAS1R3TAS1R1TAS1R2TSHR | |
| SCHEMBL5969797 | 0.87 | ALDH1A1 (0.64) | ALDH1A1TAS1R3TAS1R1TAS1R2EPHX2 | |
| SCHEMBL21766236 | 0.87 | ALDH1A1 (0.64) | ALDH1A1TAS1R3TAS1R1TAS1R2EPHX2 | |
| SCHEMBL7154380 | 0.87 | ALDH1A1 (0.64) | ALDH1A1TAS1R3TAS1R1TAS1R2EPHX2 | |
| SCHEMBL25106886 | 0.86 | ALDH1A1 (0.62) | ALDH1A1TAS1R3TAS1R1TAS1R2EPHX2 | |
| SCHEMBL5970025 | 0.84 | ALDH1A1 (0.61) | ALDH1A1TAS1R3TAS1R1TAS1R2EPHX2 |
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-113660932-B | Phenyl derivatives having pendant alkyl and alkenyl extensions and pharmaceutical compositions comprising the same | 景凯生物科技股份有限公司 | 2024-07-12 | — | — | CN | disclosed |