Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | APEX1 | P27695 | 1/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.40 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.40 |
| ▸ | CNR1 | P21554 | 4/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 1/20 | 0.35 |
| ▸ | AKR1B1 | P15121 | 4/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8446160 | 1.00 | NPSR1 (0.44) | NPSR1KMT2APOLBAPEX1ATM | |
| SCHEMBL6942603 | 0.77 | BACE1 (0.39) | HCAR3HCAR2CNR1ALDH1A1 | |
| SCHEMBL8106827 | 0.77 | BACE1 (0.39) | HCAR3HCAR2CNR1ALDH1A1 | |
| SCHEMBL7862053 | 0.77 | BACE1 (0.39) | HCAR3HCAR2CNR1ALDH1A1 | |
| SCHEMBL19904901 | 0.75 | BACE1 (0.38) | KMT2AHCAR3HCAR2CNR1ALDH1A1 | |
| SCHEMBL20970626 | 0.74 | ALDH1A1 (0.38) | HCAR3HCAR2CNR1ALDH1A1MAPT | |
| SCHEMBL9005074 | 0.74 | HSD11B1 (0.38) | HCAR3HCAR2CNR1ALDH1A1CYP3A4 | |
| SCHEMBL8723263 | 0.74 | HSD11B1 (0.38) | HCAR3HCAR2CNR1ALDH1A1CYP3A4 | |
| SCHEMBL8805782 | 0.74 | BACE1 (0.38) | HCAR3HCAR2ALDH1A1 | |
| Fluorobenzene SCHEMBL7949846 | 0.74 | NPSR1 (0.47) | NPSR1KMT2APOLBAPEX1ATM |
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 |
|---|---|---|---|---|---|---|---|
| US-5702928-A | ASYMMETRIC SYNTHESIS BY ESTER INTERCHANGE OR HYDROLYSIS CATALYZED BY MICROBIAL LIPASE | DAICEL CHEMICAL INDUSTRIES, LTD. (JP) | 1997-12-30 | — | — | US | disclosed |
| EP-0725146-A1 | PROCESS FOR PRODUCING OPTICALLY ACTIVE TRIAZOLE COMPOUND AND METHOD OF RACEMIZING OPTICALLY ACTIVE TRIAZOLE COMPOUND | DAICEL CHEMICAL INDUSTRIES, LTD. (JP) | 1996-08-07 | — | — | EP | disclosed |