Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.60 |
| ▸ | TSHR | P16473 | 2/20 | 0.55 |
| ▸ | MAPT | P10636 | 7/20 | 0.54 |
| ▸ | NPC1 | O15118 | 3/20 | 0.54 |
| ▸ | RAB9A | P51151 | 3/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.54 |
| ▸ | HTT | P42858 | 2/20 | 0.54 |
| ▸ | MEN1 | O00255 | 7/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 7/20 | 0.52 |
| ▸ | CASP3 | P42574 | 1/20 | 0.52 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.52 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL29894703 | 0.87 | TSHR (0.55) | KDM4ETSHRMAPTNPC1RAB9A | |
| SCHEMBL696237 | 0.87 | TSHR (0.55) | KDM4ETSHRMAPTNPC1RAB9A | |
| SCHEMBL4072785 | 0.85 | L3MBTL1 (0.57) | TSHRMAPTNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL3736168 | 0.85 | TSHR (0.49) | KDM4ETSHRMAPTNPC1RAB9A | |
| SCHEMBL9795678 | 0.83 | ALDH1A1 (0.46) | KDM4EMAPTNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL29894695 | 0.82 | FABP4 (0.56) | KDM4ETSHRMAPTNPC1RAB9A | |
| SCHEMBL2728813 | 0.82 | FABP4 (0.56) | KDM4ETSHRMAPTNPC1RAB9A | |
| SCHEMBL5121422 | 0.80 | ALDH1A1 (0.61) | KDM4ETSHRMAPTRAB9AHTT | |
| Hydrochloric Acid SCHEMBL5772856 | 0.78 | ALDH1A1 (0.60) | KDM4EMAPTRAB9AHTTMEN1 | |
| SCHEMBL2319841 | 0.78 | KDM4E (0.56) | KDM4ETSHRMAPTNPC1RAB9A |
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-104058980-B | There is optically active α-amido beta-hydroxy amino acid derivativges and its preparation method and application | 华东师范大学 | 2016-09-14 | — | — | CN | disclosed |