Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 1.00 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.70 |
| ▸ | LMNA | P02545 | 3/20 | 0.70 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.67 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.67 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.67 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.66 |
| ▸ | MAPT | P10636 | 1/20 | 0.66 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.62 |
| ▸ | MEN1 | O00255 | 3/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.56 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.56 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.56 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.52 |
| ▸ | TP53 | P04637 | 1/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.52 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.52 |
| ▸ | MYLK | Q15746 | 1/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL31684036 | 1.00 | TSHR (1.00) | TSHRKMT2ALMNACYP3A4CYP2C9 | |
| SCHEMBL4555453 | 0.85 | TSHR (0.78) | TSHRKMT2ALMNACYP3A4CYP2C9 | |
| SCHEMBL31684034 | 0.85 | TSHR (0.78) | TSHRKMT2ALMNACYP3A4CYP2C9 | |
| SCHEMBL4001953 | 0.84 | TSHR (0.72) | TSHRKMT2ALMNACYP3A4CYP2C9 | |
| SCHEMBL10719519 | 0.83 | SMN1; SMN2 (0.80) | TSHRKMT2ALMNACYP3A4CYP2C9 | |
| SCHEMBL1299167 | 0.81 | TSHR (0.68) | TSHRKMT2ALMNACYP3A4CYP2C9 | |
| SCHEMBL3640880 | 0.80 | TSHR (0.67) | TSHRKMT2ALMNACYP3A4CYP2C9 | |
| SCHEMBL2960625 | 0.79 | TSHR (0.65) | TSHRKMT2ALMNAMAPTMEN1 | |
| SCHEMBL23498098 | 0.78 | TSHR (0.63) | TSHRKMT2ALMNASMN1; SMN2ALDH1A1 | |
| SCHEMBL29784717 | 0.78 | TSHR (0.63) | TSHRKMT2ALMNASMN1; SMN2ALDH1A1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105829293-A | Novel piperidine carboxamide compound, preparation method, and usage thereof | 中国人民解放军军事医学科学院毒物药物研究所 | 2016-08-03 | — | — | CN | claimed |
| CN-105829293-B | New piperidine carbamyl class compound, preparation method and its usage | 中国人民解放军军事医学科学院毒物药物研究所 | 2018-11-09 | — | — | CN | disclosed |
| CN-105829293-A | Novel piperidine carboxamide compound, preparation method, and usage thereof | 中国人民解放军军事医学科学院毒物药物研究所 | 2016-08-03 | — | — | CN | disclosed |
| US-8106055-B2 | Substituted amide compounds | GRUENENTHAL GMBH (DE) | 2012-01-31 | — | — | US | disclosed |