Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | FUCA1 | P04066 | 2/20 | 0.36 |
| ▸ | ACHE | P22303 | 2/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | CCR3 | P51677 | 1/20 | 0.35 |
| ▸ | GSK3A | P49840 | 1/20 | 0.35 |
| ▸ | GSK3B | P49841 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | BCHE | P06276 | 1/20 | 0.35 |
| ▸ | BACE1 | P56817 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL12821980 | 0.91 | ALDH1A1 (0.37) | SIGMAR1ALDH1A1FUCA1TDP1CYP1A2 | |
| SCHEMBL28145547 | 0.86 | SIGMAR1 (0.42) | SIGMAR1ALDH1A1ACHETDP1MAPT | |
| SCHEMBL28145498 | 0.77 | SIGMAR1 (0.44) | SIGMAR1ALDH1A1FUCA1ACHETDP1 | |
| Hydrochloric Acid SCHEMBL1904419 | 0.73 | LTA4H (0.55) | — | |
| SCHEMBL3058629 | 0.70 | SMN1; SMN2 (0.46) | CYP2D6CYP2C19 | |
| SCHEMBL1749081 | 0.70 | GSK3A (0.40) | ALDH1A1FUCA1TDP1GSK3AGSK3B | |
| SCHEMBL3021140 | 0.69 | SIGMAR1 (0.38) | SIGMAR1FUCA1GSK3AGSK3BHPGD | |
| SCHEMBL5540890 | 0.68 | SIGMAR1 (0.46) | SIGMAR1ALDH1A1FUCA1ACHECYP1A2 | |
| SCHEMBL7234813 | 0.65 | SIGMAR1 (0.44) | SIGMAR1 | |
| Hydrochloric Acid SCHEMBL21815558 | 0.64 | — | — |
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-105085525-B | Isoquinolin sulfonyl derivative as RHO kinase inhibitor | 南京明德新药研发股份有限公司 | 2019-01-04 | — | — | CN | disclosed |