Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 4/20 | 0.40 |
| ▸ | USP2 | O75604 | 3/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.38 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.35 |
| ▸ | RECQL | P46063 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | LPAR2 | Q9HBW0 | 1/20 | 0.32 |
| ▸ | LPAR3 | Q9UBY5 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | S1PR2 | O95136 | 2/20 | 0.30 |
| ▸ | S1PR1 | P21453 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL3049138 | 0.83 | ALDH1A1 (0.57) | ALDH1A1LMNAMAPTUSP2CYP3A4 | |
| SCHEMBL14319679 | 0.82 | USP2 (0.43) | ALDH1A1LMNAMAPTUSP2CYP3A4 | |
| SCHEMBL12200990 | 0.82 | ALDH1A1 (0.41) | ALDH1A1LMNAMAPTUSP2CYP3A4 | |
| SCHEMBL10825310 | 0.81 | S1PR2 (0.44) | ALDH1A1S1PR2S1PR1S1PR3S1PR4 | |
| SCHEMBL7074842 | 0.80 | S1PR2 (0.41) | ALDH1A1S1PR2S1PR1S1PR3S1PR4 | |
| SCHEMBL27517907 | 0.80 | S1PR2 (0.41) | ALDH1A1S1PR2S1PR1S1PR3S1PR4 | |
| SCHEMBL6883354 | 0.79 | MAPT (0.44) | ALDH1A1LMNAMAPTUSP2CYP3A4 | |
| SCHEMBL1952607 | 0.79 | MAPT (0.44) | ALDH1A1LMNAMAPTUSP2CYP3A4 | |
| SCHEMBL1952608 | 0.79 | MAPT (0.44) | ALDH1A1LMNAMAPTUSP2CYP3A4 | |
| SCHEMBL15630694 | 0.78 | CTSK (0.43) | ALDH1A1HDAC3HDAC1HDAC2HDAC8 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105712901-A | Method for synthesizing optically active intermediate N-tert-butoxycarbonyl-2-amino-8-nonenoic dicyclohexylamine salt | 成都柏睿泰生物科技有限公司 | 2016-06-29 | — | — | CN | disclosed |