Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.55 |
| ▸ | PPM1B | O75688 | 1/20 | 0.47 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.47 |
| ▸ | PPP1CC | P36873 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | LMNA | P02545 | 3/20 | 0.45 |
| ▸ | CTSL | P07711 | 2/20 | 0.45 |
| ▸ | CAPN1 | P07384 | 2/20 | 0.45 |
| ▸ | CTSB | P07858 | 1/20 | 0.45 |
| ▸ | CTSG | P08311 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | MGAM | O43451 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | SI | P14410 | 1/20 | 0.42 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.42 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.42 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL2387697 | 1.00 | TSHR (0.55) | TSHRPPM1BPTPN1PPP1CCALDH1A1 | |
| SCHEMBL2387688 | 1.00 | TSHR (0.55) | TSHRPPM1BPTPN1PPP1CCALDH1A1 | |
| SCHEMBL2387693 | 1.00 | TSHR (0.55) | TSHRPPM1BPTPN1PPP1CCALDH1A1 | |
| SCHEMBL11545787 | 1.00 | TSHR (0.55) | TSHRPPM1BPTPN1PPP1CCALDH1A1 | |
| SCHEMBL5556039 | 0.97 | TSHR (0.53) | TSHRPPM1BPTPN1PPP1CCALDH1A1 | |
| SCHEMBL12831369 | 0.91 | TSHR (0.49) | TSHRPPM1BPTPN1PPP1CCALDH1A1 | |
| SCHEMBL12635439 | 0.91 | TSHR (0.49) | TSHRPPM1BPTPN1PPP1CCALDH1A1 | |
| SCHEMBL29234725 | 0.91 | TSHR (0.53) | TSHRPPM1BPTPN1PPP1CCALDH1A1 | |
| SCHEMBL1238213 | 0.91 | TSHR (0.53) | TSHRPPM1BPTPN1PPP1CCALDH1A1 | |
| SCHEMBL1806931 | 0.91 | TSHR (0.53) | TSHRPPM1BPTPN1PPP1CCALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3006432-B1 | 2,3-BUTANEDIAMIDE EPOXIDE COMPOUND AND PREPARATION METHOD AND USE THEREOF | INST PHARMACOLOGY & TOXICOLOGY ACAD MILITARY MEDICAL SCIENCES PLA CHINA (CN) | 2017-11-15 | — | — | EP | disclosed |
| EP-3006432-A1 | 2,3-BUTANEDIAMIDE EPOXIDE COMPOUND AND PREPARATION METHOD AND USE THEREOF | Institute of Pharmacology and Toxicology Academy of Military Medical Sciences P.L.A. China (CN) | 2016-04-13 | — | — | EP | disclosed |
| WO-2007087572-A2 | AZA-PEPTIDE EPOXIDES | GEORGIA TECH RESEARCH CORPORATION (US) | 2007-08-02 | — | — | WO | disclosed |