Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.55 |
| ▸ | LMNA | P02545 | 2/20 | 0.55 |
| ▸ | TP53 | P04637 | 1/20 | 0.55 |
| ▸ | TSHR | P16473 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.55 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.53 |
| ▸ | RELA | Q04206 | 1/20 | 0.53 |
| ▸ | ESR1 | P03372 | 4/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.52 |
| ▸ | CYP1A1 | P04798 | 3/20 | 0.52 |
| ▸ | CYP1B1 | Q16678 | 3/20 | 0.52 |
| ▸ | AHR | P35869 | 3/20 | 0.52 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.52 |
| ▸ | ABL1 | P00519 | 1/20 | 0.52 |
| ▸ | TTR | P02766 | 1/20 | 0.52 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.52 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.52 |
| ▸ | BCR | P11274 | 1/20 | 0.52 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL13181157 | 1.00 | KDM4E (0.55) | KDM4ECYP3A4LMNATP53TSHR | |
| SCHEMBL3247170 | 0.89 | AHR (0.54) | KDM4ECYP3A4LMNATP53TSHR | |
| SCHEMBL3247166 | 0.89 | AHR (0.54) | KDM4ECYP3A4LMNATP53TSHR | |
| SCHEMBL6434839 | 0.87 | AHR (0.53) | KDM4ECYP3A4LMNATP53TSHR | |
| SCHEMBL6435102 | 0.87 | AHR (0.53) | KDM4ECYP3A4LMNATP53TSHR | |
| SCHEMBL6434844 | 0.87 | AHR (0.53) | KDM4ECYP3A4LMNATP53TSHR | |
| SCHEMBL13224767 | 0.86 | RELA (0.45) | KDM4ECYP3A4LMNATP53TSHR | |
| SCHEMBL2005561 | 0.85 | CNR1 (0.54) | KDM4ECYP3A4LMNATP53TSHR | |
| SCHEMBL17682006 | 0.85 | CNR1 (0.54) | KDM4ECYP3A4LMNATP53TSHR | |
| SCHEMBL19452377 | 0.85 | CNR1 (0.54) | KDM4ECYP3A4LMNATP53TSHR |
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 |
|---|---|---|---|---|---|---|---|
| US-20210181182-A1 | METHOD FOR IDENTIFICATION OF PERTURBAGENS OF PARTICULAR BIOLOGICAL PROCESSES AND CELL SYSTEMS WITHIN LIVING CELLS | ATTAGENE INC (US) | 2021-06-17 | — | — | US | disclosed |
| EP-2661423-A1 | NOVEL PROCESS FOR SYNTHESIZING AGOMELATINE | Les Laboratoires Servier (FR) | 2013-11-13 | — | — | EP | disclosed |
| WO-2012093225-A1 | NOVEL PROCESS FOR SYNTHESIZING AGOMELATINE | LES LABORATOIRES SERVIER (FR) | 2012-07-12 | — | — | WO | disclosed |