Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MC4R | P32245 | 1/20 | 0.39 |
| ▸ | CES2 | O00748 | 2/20 | 0.35 |
| ▸ | CES1 | P23141 | 2/20 | 0.35 |
| ▸ | ACHE | P22303 | 1/20 | 0.32 |
| ▸ | SHBG | P04278 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | PSIP1 | O75475 | 1/20 | 0.31 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.30 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL18006937 | 0.79 | SMN1; SMN2 (0.34) | MC4RCES2CES1 | |
| SCHEMBL16585941 | 0.77 | CES2 (0.39) | CES2CES1 | |
| SCHEMBL18243094 | 0.77 | CES2 (0.39) | MC4RCES2CES1ACHEKDM4E | |
| SCHEMBL953105 | 0.77 | CES2 (0.40) | MC4RCES2CES1 | |
| SCHEMBL18866561 | 0.76 | CES2 (0.38) | MC4RCES2CES1ACHEKDM4E | |
| SCHEMBL6258732 | 0.76 | MC4R (0.41) | MC4RCES2CES1ACHE | |
| SCHEMBL10250747 | 0.74 | TSHR (0.40) | MC4RCES2CES1ACHESHBG | |
| SCHEMBL27257764 | 0.74 | CYP3A4 (0.35) | CES2CES1 | |
| SCHEMBL27257724 | 0.74 | ALDH1A1 (0.33) | CES2CES1KDM4E | |
| SCHEMBL4828643 | 0.73 | CES2 (0.39) | MC4RCES2CES1ACHE |
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-3210469-A1 | USE OF SUBSTITUTED THIO-1,2,4-TRIAZOLES FOR INCREASING STRESS TOLERANCE IN PLANTS | Bayer Cropscience AG (DE) | 2017-08-30 | — | — | EP | disclosed |
| EP-2555623-A1 | FLAVIN DERIVATIVES | BioRelix, Inc. (US) | 2013-02-13 | — | — | EP | disclosed |
| WO-2011126567-A1 | FLAVIN DERIVATIVES | BIORELIX, INC. (US) | 2011-10-13 | — | — | WO | disclosed |