Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.43 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.43 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.43 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.43 |
| ▸ | IKZF3 | Q9UKT9 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | GRM5 | P41594 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.38 |
| ▸ | MC4R | P32245 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | CASP3 | P42574 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7744577 | 0.79 | ALDH1A1 (0.44) | CYP1A2ALDH1A1CHRM2OPRM1DDB1 | |
| SCHEMBL1571637 | 0.77 | ALDH1A1 (0.42) | CYP1A2ALDH1A1CHRM2OPRM1DDB1 | |
| SCHEMBL250230 | 0.77 | ALDH1A1 (0.42) | CYP1A2ALDH1A1CHRM2OPRM1DDB1 | |
| SCHEMBL30449036 | 0.77 | ALDH1A1 (0.42) | CYP1A2ALDH1A1CHRM2OPRM1DDB1 | |
| SCHEMBL25225543 | 0.77 | ABAT (0.42) | CYP1A2ALDH1A1CHRM2OPRM1DDB1 | |
| SCHEMBL31320422 | 0.77 | ABAT (0.42) | CYP1A2ALDH1A1CHRM2OPRM1DDB1 | |
| SCHEMBL20103234 | 0.77 | ALDH1A1 (0.44) | CYP1A2ALDH1A1CHRM2OPRM1DDB1 | |
| SCHEMBL34473049 | 0.77 | ALDH1A1 (0.44) | CYP1A2ALDH1A1CHRM2OPRM1DDB1 | |
| SCHEMBL11040609 | 0.76 | ALDH1A1 (0.38) | CYP1A2ALDH1A1CHRM2OPRM1DDB1 | |
| SCHEMBL13735685 | 0.76 | ALDH1A1 (0.44) | CYP1A2ALDH1A1CHRM2OPRM1DDB1 |
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-109180586-A | Hexahydro azatropylidene -4- base oxybenzamide class compound as Rho kinase inhibitor | 成都理工大学 | 2019-01-11 | — | — | CN | disclosed |
| CN-104803914-B | Hexahydro azatropylidene oxybenzamide class compound as Rho kinase inhibitors | 成都理工大学 | 2017-11-14 | — | — | CN | disclosed |