Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.37 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.37 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.37 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.37 |
| ▸ | CNR1 | P21554 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.31 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.30 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL50119 | 0.86 | — | — | |
| Hydrochloric Acid SCHEMBL11302634 | 0.84 | — | — | |
| SCHEMBL14411296 | 0.80 | ALDH1A1 (0.46) | ALDH1A1CHRNB2CHRNA4TSHRCHRM1 | |
| SCHEMBL14307984 | 0.78 | CNR1 (0.40) | ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA4 | |
| Sulfuric Acid SCHEMBL29224720 | 0.77 | MAPT (0.38) | CHRNB2CHRNB4CHRNA3CHRNA4CNR1 | |
| SCHEMBL14067173 | 0.77 | ALDH1A1 (0.43) | ALDH1A1TSHRCHRM1THRB | |
| Ether SCHEMBL5564259 | 0.76 | ALDH1A1 (0.44) | ALDH1A1CHRNB2CHRNA4TSHRCHRM1 | |
| Trolamine SCHEMBL2849959 | 0.76 | ALDH1A1 (0.39) | ALDH1A1TSHRMAPTLMNAHSD17B10 | |
| SCHEMBL17624882 | 0.75 | ALDH1A1 (0.42) | ALDH1A1TSHRCHRM1THRB | |
| Dimethylaminoethanol SCHEMBL11655221 | 0.74 | MAPT (0.67) | ALDH1A1CHRNB2CHRNA4TSHRMAPT |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5591744-A | 1,4-DIHYDRO-4-OXOQUINOLINE-3-CARBOXYLATE DERIVATIVES; MICROBIOCIDES | OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) | 1997-01-07 | — | — | US | disclosed |
| US-5495020-A | CHEMICAL INTERMEDIATE FOR BACTERICIDES, MICROBIOCIDES, DISINFECTANTS; SIDE EFFECT REDUCTION, ABSORPTION | OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) | 1996-02-27 | — | — | US | disclosed |
| US-4258181-A | BACTERICIDES, AMTITUMOR AGENTS, ANTICARCINOGENIC AGENTS | AMERICAN CYANAMID COMPANY (US) | 1981-03-24 | — | — | US | disclosed |