Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 2/20 | 0.30 |
| ▸ | CA12 | O43570 | 2/20 | 0.30 |
| ▸ | CA9 | Q16790 | 2/20 | 0.30 |
| ▸ | CA1 | P00915 | 1/20 | 0.30 |
| ▸ | CA7 | P43166 | 1/20 | 0.30 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.30 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.30 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.30 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.30 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.30 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.30 |
| ▸ | HTR2A | P28223 | 1/20 | 0.30 |
| ▸ | HTR2C | P28335 | 1/20 | 0.30 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.30 |
| ▸ | HRH1 | P35367 | 1/20 | 0.30 |
| ▸ | DRD3 | P35462 | 1/20 | 0.30 |
| ▸ | SLC6A3 | Q01959 | 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 | |
|---|---|---|---|---|
| SCHEMBL6736111 | 0.98 | TP53 (0.38) | TP53TSHRCHRM1AKR1A1CHRM3 | |
| Ammonia Solution, Strong SCHEMBL28076220 | 0.96 | TP53 (0.36) | TP53TSHRCHRM1AKR1A1CHRM3 | |
| SCHEMBL6735043 | 0.85 | TP53 (0.44) | TP53TSHRSMN1; SMN2CA2CA1 | |
| SCHEMBL28708788 | 0.82 | TP53 (0.33) | TP53 | |
| SCHEMBL27956716 | 0.82 | TP53 (0.50) | TP53CA2CA1 | |
| SCHEMBL10867424 | 0.82 | TP53 (0.50) | TP53CA2CA1 | |
| Ammonia Solution, Strong SCHEMBL27619137 | 0.80 | TP53 (0.48) | TP53CA2CA1 | |
| SCHEMBL3501851 | 0.80 | TP53 (0.33) | TP53 | |
| SCHEMBL14779447 | 0.77 | TP53 (0.39) | TP53TSHRCA2CA12CA1 | |
| SCHEMBL2368437 | 0.74 | CYP3A4 (0.32) | TSHRCA2CA12CA9 |
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-8633691-B2 | Liquid compositions and uses thereof for generating diffusion ordered NMR spectra of mixtures | Yissum Research Developemtn Comapny of the Hebrew University of Jerusalem (IL) | 2014-01-21 | — | — | US | disclosed |
| US-20110215806-A1 | LIQUID COMPOSITIONS AND USES THEREOF FOR GENERATING DIFFUSION ORDERED NMR SPECTRA OF MIXTURES | YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM, LTD. (IL) | 2011-09-08 | — | — | US | disclosed |
| WO-2010023673-A1 | LIQUID COMPOSITIONS AND USES THEREOF FOR GENERATING DIFFUSION ORDERED NMR SPECTRA OF MIXTURES | YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM, LTD. (IL) | 2010-03-04 | — | — | WO | disclosed |