Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | THRB | P10828 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 3/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | APEX1 | P27695 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | FAAH | O00519 | 9/20 | 0.41 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.40 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.40 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.40 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.40 |
| ▸ | P2RY12 | Q9H244 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL25008931 | 0.92 | THRB (0.58) | TSHRALDH1A1CYP3A4THRBHPGD | |
| SCHEMBL19982445 | 0.86 | THRB (0.55) | TSHRALDH1A1CYP3A4THRBHPGD | |
| SCHEMBL13512762 | 0.85 | TSHR (0.54) | TSHRALDH1A1CYP3A4THRBHPGD | |
| SCHEMBL12370889 | 0.83 | THRB (0.55) | TSHRALDH1A1CYP3A4THRBHPGD | |
| SCHEMBL16851772 | 0.83 | TSHR (0.56) | TSHRALDH1A1CYP3A4THRBHPGD | |
| SCHEMBL23730207 | 0.82 | TSHR (0.54) | TSHRALDH1A1CYP3A4THRBHPGD | |
| SCHEMBL12267165 | 0.82 | THRB (0.56) | TSHRALDH1A1CYP3A4THRBHPGD | |
| SCHEMBL25008939 | 0.82 | THRB (0.45) | TSHRALDH1A1CYP3A4THRBHPGD | |
| SCHEMBL25008936 | 0.82 | THRB (0.45) | TSHRALDH1A1CYP3A4THRBHPGD | |
| SCHEMBL25008933 | 0.82 | THRB (0.45) | TSHRALDH1A1CYP3A4THRBHPGD |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3237970-B1 | MULTIPLE ALIGNMENT METHOD IN LIQUID CRYSTALLINE MEDIUM | CONSIGLIO NAZIONALE RICERCHE (IT) | 2021-08-04 | — | — | EP | disclosed |