Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRB | P10828 | 1/20 | 0.56 |
| ▸ | ATM | Q13315 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.55 |
| ▸ | MAPT | P10636 | 2/20 | 0.55 |
| ▸ | HPGD | P15428 | 2/20 | 0.55 |
| ▸ | F3 | P13726 | 1/20 | 0.53 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.53 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.52 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | APEX1 | P27695 | 1/20 | 0.52 |
| ▸ | BLM | P54132 | 1/20 | 0.52 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.52 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.52 |
| ▸ | GSK3B | P49841 | 2/20 | 0.50 |
| ▸ | BACE1 | P56817 | 1/20 | 0.50 |
| ▸ | CA1 | P00915 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL2801414 | 1.00 | THRB (0.56) | THRBATMALDH1A1KDM4EMAPT | |
| SCHEMBL7820839 | 0.84 | THRB (0.56) | THRBATMALDH1A1KDM4EMAPT | |
| SCHEMBL433921 | 0.84 | THRB (0.56) | THRBATMALDH1A1KDM4EMAPT | |
| SCHEMBL7820837 | 0.84 | THRB (0.56) | THRBATMALDH1A1KDM4EMAPT | |
| SCHEMBL1237225 | 0.82 | AKR1C3 (0.62) | THRBATMALDH1A1KDM4EMAPT | |
| SCHEMBL20500020 | 0.82 | AKR1C3 (0.62) | THRBATMALDH1A1KDM4EMAPT | |
| Hydrochloric Acid SCHEMBL8581964 | 0.82 | THRB (0.55) | THRBATMALDH1A1KDM4EMAPT | |
| SCHEMBL1237224 | 0.82 | AKR1C3 (0.62) | THRBATMALDH1A1KDM4EMAPT | |
| SCHEMBL7074870 | 0.81 | TUBB4A (0.57) | THRBATMALDH1A1KDM4EMAPT | |
| SCHEMBL17651848 | 0.81 | CAPN1 (0.59) | THRBATMALDH1A1KDM4EMAPT |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2217093-A1 | FLAVOUR-MODULATING COMPOUNDS | Givaudan SA (CH) | 2010-08-18 | — | — | EP | claimed |
| WO-2009055953-A1 | FLAVOUR-MODULATING COMPOUNDS | GIVAUDAN SA (CH) | 2009-05-07 | — | — | WO | claimed |
| EP-2217093-A1 | FLAVOUR-MODULATING COMPOUNDS | Givaudan SA (CH) | 2010-08-18 | — | — | EP | disclosed |
| WO-2009055953-A1 | FLAVOUR-MODULATING COMPOUNDS | GIVAUDAN SA (CH) | 2009-05-07 | — | — | WO | disclosed |
| WO-2009055953-A1 | FLAVOUR-MODULATING COMPOUNDS | GIVAUDAN SA (CH) | 2009-05-07 | — | — | WO | disclosed |