Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | GAA | P10253 | 3/20 | 0.45 |
| ▸ | ELANE | P08246 | 1/20 | 0.45 |
| ▸ | AMPD2 | Q01433 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.41 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.41 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.41 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.41 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | STAT6 | P42226 | 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 | |
|---|---|---|---|---|
| SCHEMBL14828734 | 0.83 | ALDH1A1 (0.49) | ALDH1A1GAAELANEAMPD2TSHR | |
| SCHEMBL3733166 | 0.81 | TSHR (0.52) | ALDH1A1GAAELANEAMPD2TSHR | |
| SCHEMBL14828739 | 0.80 | TSHR (0.51) | ALDH1A1GAAAMPD2TSHR | |
| SCHEMBL14665078 | 0.79 | ELANE (0.45) | ALDH1A1GAAELANEAMPD2TSHR | |
| SCHEMBL14664013 | 0.78 | GAA (0.43) | ALDH1A1GAAELANEAMPD2TSHR | |
| SCHEMBL22394905 | 0.78 | HCRTR1 (0.50) | GAAELANEL3MBTL1EPHX2OPRL1 | |
| SCHEMBL14665104 | 0.78 | TSHR (0.52) | ALDH1A1GAAELANEAMPD2TSHR | |
| SCHEMBL1317310 | 0.77 | ALDH1A1 (0.43) | ALDH1A1GAATSHROPRL1CYP1A2 | |
| SCHEMBL14664096 | 0.77 | TSHR (0.48) | ALDH1A1AMPD2TSHR | |
| SCHEMBL4460381 | 0.76 | HCRTR1 (0.41) | ALDH1A1GAAAMPD2TSHRL3MBTL1 |
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-2964222-B1 | COMPOUNDS INHIBITING LEUCINE-RICH REPEAT KINASE ENZYME ACTIVITY | MERCK SHARP & DOHME (US) | 2017-08-30 | — | — | EP | disclosed |
| US-5607933-A | METHODS FOR TREATMENT OF GLAUCOMA AND FOR RELIEF OF PAIN AND RHEUMATIC AND INFLAMMATORY CONDITIONS BY ADMINISTERING THE INDOLES; N-HETERYL IS 2-PIPERAZINYL | STERLING WINTHROP INC. (US) | 1997-03-04 | — | — | US | disclosed |