Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 3/20 | 0.45 |
| ▸ | ACHE | P22303 | 3/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | MLYCD | O95822 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA5A | P35218 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | IDO1 | P14902 | 1/20 | 0.36 |
| ▸ | CES2 | O00748 | 1/20 | 0.36 |
| ▸ | CES1 | P23141 | 1/20 | 0.36 |
| ▸ | LPL | P06858 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Toluene SCHEMBL8139791 | 0.87 | LMNA (0.52) | CA2ACHEMLYCDKMT2AMEN1 | |
| SCHEMBL9863741 | 0.80 | MLYCD (0.46) | CA2ACHETDP1MLYCDKMT2A | |
| Methyl Alcohol SCHEMBL365291 | 0.75 | — | — | |
| SCHEMBL7111729 | 0.74 | — | — | |
| SCHEMBL9852 | 0.74 | — | — | |
| P-Xylene SCHEMBL4073405 | 0.74 | ACHE (0.47) | CA2ACHETDP1MLYCDKMT2A | |
| SCHEMBL10035138 | 0.74 | TSHR (0.46) | CA2ACHETDP1MLYCDMAPT | |
| SCHEMBL9670633 | 0.72 | MLYCD (0.52) | CA2ACHETDP1MLYCDKMT2A | |
| Hydrochloric Acid SCHEMBL12492362 | 0.71 | — | — | |
| Water SCHEMBL525261 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2718701-A1 | NON AQUEOUS SOLVENTS OR MIXTURES FOR DNP NMR SPECTROSCOPY, METHOD TO PREPARE SAID SOLVENTS OR MIXTURES AND USE OF SAID SOLVENTS OR MIXTURES | Bruker Biospin (Société par Actions Simplifiée) (FR) | 2014-04-16 | — | — | EP | claimed |
| WO-2012168797-A1 | NON AQUEOUS SOLVENTS OR MIXTURES FOR DNP NMR SPECTROSCOPY, METHOD TO PREPARE SAID SOLVENTS OR MIXTURES AND USE OF SAID SOLVENTS OR MIXTURES | BRUKER BIOSPIN (Société par Actions Simplifiée) (FR) | 2012-12-13 | — | — | WO | claimed |
| EP-2533034-A1 | DNP NMR spectroscopy with non-aqueous solvents | Bruker Biospin SA (FR) | 2012-12-12 | — | — | EP | claimed |