Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
| ▸ | CCR1 | P32246 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | THPO | P40225 | 1/20 | 0.40 |
| ▸ | MTOR | P42345 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.40 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.38 |
| ▸ | DHFR | P00374 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.36 |
| ▸ | PDE4A | P27815 | 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 | |
|---|---|---|---|---|
| SCHEMBL8806761 | 0.85 | CCR1 (0.43) | CCR1CYP3A4AOC3PTGS2DHFR | |
| SCHEMBL9719915 | 0.85 | CCR1 (0.48) | KDM4ECCR1CYP3A4PTGS2DHFR | |
| SCHEMBL11647498 | 0.84 | ACHE (0.44) | KDM4EHTTATMKMT2AMEN1 | |
| SCHEMBL29061980 | 0.81 | PTGS2 (0.47) | CCR1CYP3A4PTGS2DHFRL3MBTL1 | |
| SCHEMBL10910082 | 0.81 | PTGS2 (0.47) | CCR1CYP3A4PTGS2DHFRL3MBTL1 | |
| SCHEMBL9491753 | 0.81 | KMT2A (0.39) | KDM4ECCR1KMT2AAOC3PTGS2 | |
| SCHEMBL8804182 | 0.81 | CCR1 (0.40) | KDM4EHTTATMCCR1KMT2A | |
| SCHEMBL7265584 | 0.77 | CCR1 (0.42) | CCR1KMT2ACYP3A4NPSR1MEN1 | |
| SCHEMBL10993182 | 0.75 | CA9 (0.42) | KDM4ECCR1CYP3A4PTGS2DHFR | |
| SCHEMBL8805003 | 0.72 | CCR1 (0.55) | KDM4EHTTATMCCR1KMT2A |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5633288-A | EXPECTORANT | YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) | 1997-05-27 | — | — | US | disclosed |
| EP-0555481-B1 | TRI(C1-C6 ALKOXY)BENZENE DERIVATIVE | YAMANOUCHI PHARMA CO LTD (JP) | 1997-01-22 | — | — | EP | disclosed |
| US-5498635-A | RESPIRATORY DISORDERS | YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) | 1996-03-12 | — | — | US | disclosed |
| US-5401775-A | Pulmonary surfactant secretion promoter | YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) | 1995-03-28 | — | — | US | disclosed |
| EP-0555481-A1 | TRI(C1-C6 ALKOXY)BENZENE DERIVATIVE | YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) | 1993-08-18 | — | — | EP | disclosed |