Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.68 |
| ▸ | POLB | P06746 | 1/20 | 0.57 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.57 |
| ▸ | LMNA | P02545 | 1/20 | 0.56 |
| ▸ | GAA | P10253 | 1/20 | 0.56 |
| ▸ | ERN1 | O75460 | 2/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.51 |
| ▸ | MYC | P01106 | 1/20 | 0.49 |
| ▸ | MAX | P61244 | 1/20 | 0.49 |
| ▸ | CES2 | O00748 | 2/20 | 0.49 |
| ▸ | CES1 | P23141 | 2/20 | 0.49 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.48 |
| ▸ | CA12 | O43570 | 1/20 | 0.48 |
| ▸ | CA1 | P00915 | 1/20 | 0.48 |
| ▸ | CA2 | P00918 | 1/20 | 0.48 |
| ▸ | CA9 | Q16790 | 1/20 | 0.48 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.48 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.47 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL28245589 | 0.89 | TSHR (0.81) | TSHRPOLBLMNAERN1CYP3A4 | |
| SCHEMBL8686215 | 0.85 | TP53 (0.67) | POLBMAPK1LMNAGAAERN1 | |
| SCHEMBL629211 | 0.85 | TP53 (0.67) | POLBMAPK1LMNAGAAERN1 | |
| SCHEMBL28010664 | 0.85 | TSHR (0.67) | TSHRPOLBMAPK1LMNAGAA | |
| SCHEMBL27889371 | 0.84 | TSHR (0.68) | TSHRPOLBMAPK1LMNAGAA | |
| SCHEMBL1302830 | 0.84 | ALDH1A1 (0.68) | TSHRPOLBMAPK1CES2CES1 | |
| SCHEMBL5696165 | 0.83 | TSHR (0.88) | TSHRPOLBMAPK1LMNAGAA | |
| SCHEMBL6999225 | 0.82 | DHODH (0.63) | TSHRPOLBERN1CYP3A4PRSS1 | |
| SCHEMBL29848105 | 0.81 | TSHR (1.00) | TSHRPOLBLMNACYP3A4SMN1; SMN2 | |
| SCHEMBL894417 | 0.81 | TSHR (1.00) | TSHRPOLBLMNACYP3A4SMN1; SMN2 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8614201-B2 | Heterocyclic amides as modulators of TRPA1 | JANSSEN PHARMACEUTICA NV (BE) | 2013-12-24 | — | — | US | claimed |
| WO-2010141805-A1 | HETEROCYCLIC AMIDES AS MODULATORS OF TRPA1 | JANSSEN PHARMACEUTICA NV (BE) | 2010-12-09 | — | — | WO | claimed |
| CN-106699755-B | A kind of aza-acridine class compound and preparation method thereof and purposes | 清华大学深圳研究生院 | 2018-09-21 | — | — | CN | disclosed |
| WO-2018151681-A1 | COMPOUNDS FOR TREATING TUBERCULOSIS | NANYANG TECHNOLOGICAL UNIVERSITY (SG) | 2018-08-23 | — | — | WO | disclosed |
| CN-108409648-A | A kind of preparation method of Sorafenib Tosylate correlation intermediate | 盐城师范学院 | 2018-08-17 | — | — | CN | disclosed |
| CN-106699755-A | Aza-acridine compound and preparation method and application thereof | 清华大学深圳研究生院 | 2017-05-24 | — | — | CN | disclosed |
| US-8614201-B2 | Heterocyclic amides as modulators of TRPA1 | JANSSEN PHARMACEUTICA NV (BE) | 2013-12-24 | — | — | US | disclosed |
| WO-2010141805-A1 | HETEROCYCLIC AMIDES AS MODULATORS OF TRPA1 | JANSSEN PHARMACEUTICA NV (BE) | 2010-12-09 | — | — | WO | disclosed |