Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CA7 | P43166 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL27908496 | 0.79 | CA12 (0.43) | CA12CA1CA2CA7CA9 | |
| SCHEMBL28112946 | 0.71 | TAS1R3 (0.41) | CA12CA1CA2CA7CA9 | |
| SCHEMBL2884358 | 0.69 | CA12 (0.34) | CA12CA1CA2CA7CA9 | |
| SCHEMBL28113460 | 0.69 | TSHR (0.41) | CA12CA1CA2CA7CA9 | |
| SCHEMBL8019923 | 0.68 | ALDH1A1 (0.50) | CA12CA1CA2CA7CA9 | |
| SCHEMBL27908482 | 0.67 | CRHR1 (0.30) | — | |
| SCHEMBL21166545 | 0.67 | TAS1R3 (0.35) | ALDH1A1 | |
| SCHEMBL21423114 | 0.66 | CA12 (0.47) | CA12CA1CA2CA7CA9 | |
| SCHEMBL28769629 | 0.65 | ALDH1A1 (0.46) | CA12CA1CA2CA7CA9 | |
| SCHEMBL15418608 | 0.64 | ALDH1A1 (0.46) | ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-102947319-B | Method and tertiary phosphine for phosphine oxides is reduced into corresponding tertiary phosphine in the presence of a catalyst is used for reducing in the presence of a catalyst the purposes of phosphine oxides | 克罗马福拉公司 | 2016-11-09 | — | — | CN | disclosed |
| CN-102947319-A | A process for the reduction of a tertiary phosphine oxide to the corresponding tertiary phosphine in the presence of a catalyst and use of a tertiary phosphine for reducing a tertiary phosphine oxide in the presence of a catalyst | CHROMAFORA AB | 2013-02-27 | — | — | CN | disclosed |