Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 4/20 | 0.35 |
| ▸ | USP7 | Q93009 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | GCGR | P47871 | 1/20 | 0.33 |
| ▸ | BACE1 | P56817 | 1/20 | 0.33 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.33 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.33 |
| ▸ | DPP4 | P27487 | 1/20 | 0.32 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | HPGD | P15428 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL473259 | 0.91 | DPP4 (0.38) | USP7GCGRBACE1PDCD1CD274 | |
| Water SCHEMBL474768 | 0.89 | DPP4 (0.37) | USP7GCGRPDCD1CD274DPP4 | |
| Aziridine SCHEMBL11855718 | 0.83 | HTR6 (0.38) | CYP2D6 | |
| SCHEMBL9182911 | 0.79 | TP53 (0.39) | LMNAALDH1A1KDM4EMEN1GAA | |
| SCHEMBL21753489 | 0.79 | DPP4 (0.34) | USP7GCGRPDCD1CD274DPP4 | |
| Ether SCHEMBL9719794 | 0.78 | DPP4 (0.50) | LMNAPDCD1CD274DPP4L3MBTL1 | |
| SCHEMBL29101386 | 0.78 | PTGS1 (0.46) | LMNAGCGRL3MBTL1ALDH1A1HPGD | |
| SCHEMBL996207 | 0.78 | USP7 (0.33) | ADORA3USP7GCGRPLA2G2A | |
| SCHEMBL9185899 | 0.77 | TP53 (0.40) | — | |
| SCHEMBL8679020 | 0.77 | CD274 (0.47) | ADORA3USP7GCGRPDCD1CD274 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2412703-B1 | URETHANE COMPOUND AND PROCESS FOR PRODUCTION THEREOF, AND ISOCYANATE AND PROCESS FOR PRODUCTION THEREOF | MITSUI CHEMICALS INC (JP) | 2016-06-29 | — | — | EP | disclosed |
| EP-2412703-A1 | URETHANE COMPOUND AND PROCESS FOR PRODUCTION THEREOF, AND ISOCYANATE AND PROCESS FOR PRODUCTION THEREOF | Mitsui Chemicals, Inc. (JP) | 2012-02-01 | — | — | EP | disclosed |