Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | CA12 | O43570 | 3/20 | 0.34 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.34 |
| ▸ | CA1 | P00915 | 2/20 | 0.34 |
| ▸ | CA7 | P43166 | 1/20 | 0.34 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.33 |
| ▸ | CTSK | P43235 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.32 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.32 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.32 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.32 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.32 |
| ▸ | CA2 | P00918 | 2/20 | 0.31 |
| ▸ | CES2 | O00748 | 1/20 | 0.31 |
| ▸ | CES1 | P23141 | 1/20 | 0.31 |
| ▸ | CTSD | P07339 | 1/20 | 0.30 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL6415291 | 0.94 | ALDH1A1 (0.41) | ALDH1A1CA12CA14CA1CA7 | |
| SCHEMBL28300235 | 0.89 | ALDH1A1 (0.34) | ALDH1A1CA12CA14CA1CA7 | |
| SCHEMBL14604888 | 0.82 | HAO1 (0.41) | ALDH1A1CA12CA14CA1CA7 | |
| SCHEMBL1563570 | 0.81 | HAO1 (0.48) | ALDH1A1CES2CES1TSHR | |
| SCHEMBL27600924 | 0.79 | TSHR (0.46) | ALDH1A1CA12CA14CA7EPHX2 | |
| SCHEMBL10799382 | 0.79 | HAO1 (0.52) | ALDH1A1CES2CES1TSHR | |
| SCHEMBL1562138 | 0.79 | HAO1 (0.52) | ALDH1A1CES2CES1TSHR | |
| SCHEMBL29022869 | 0.79 | HAO1 (0.52) | ALDH1A1CES2CES1TSHR | |
| SCHEMBL1562098 | 0.79 | HAO1 (0.52) | ALDH1A1CES2CES1TSHR | |
| SCHEMBL10595444 | 0.79 | HAO1 (0.52) | ALDH1A1CES2CES1TSHR |
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 |
|---|---|---|---|---|---|---|---|
| CN-101878193-B | Bicyclic gamma-amino acid derivatives | DAIICHI SANKYO CO LTD | 2014-07-09 | — | — | CN | disclosed |
| CN-103483169-A | Bicyclic gamma-amino acid derivative | DAIICHI SANKYO CO LTD | 2014-01-01 | — | — | CN | disclosed |
| CN-101878193-A | Bicyclic gamma-amino acid derivatives | DAIICHI SANKYO CO LTD | 2010-11-03 | — | — | CN | disclosed |