Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | GLO1 | Q04760 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | CASP1 | P29466 | 1/20 | 0.31 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | THRB | P10828 | 1/20 | 0.30 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL10494406 | 0.82 | HCAR2 (0.55) | ALDH1A1TSHRHCAR2NPSR1GLO1 | |
| SCHEMBL10494399 | 0.82 | HCAR2 (0.55) | ALDH1A1TSHRHCAR2NPSR1GLO1 | |
| SCHEMBL10047861 | 0.77 | ALDH1A1 (0.39) | ALDH1A1TSHRHCAR2NPSR1GLO1 | |
| SCHEMBL23049746 | 0.76 | ALDH1A1 (0.35) | ALDH1A1TSHRHCAR2NPSR1GLO1 | |
| SCHEMBL6531427 | 0.74 | NPSR1 (0.42) | ALDH1A1TSHRHCAR2NPSR1GLO1 | |
| SCHEMBL16410842 | 0.72 | NPSR1 (0.41) | ALDH1A1TSHRHCAR2NPSR1GLO1 | |
| SCHEMBL8198754 | 0.69 | NPSR1 (0.38) | ALDH1A1TSHRHCAR2NPSR1GLO1 | |
| Diethyl Maleate SCHEMBL9462071 | 0.69 | HCAR2 (0.64) | ALDH1A1HCAR2NPSR1MAPTLMNA | |
| SCHEMBL395607 | 0.68 | — | — | |
| SCHEMBL8156973 | 0.68 | ALDH1A1 (0.38) | ALDH1A1TSHRNPSR1GLO1 |
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-3124482-A1 | QUINOLINE DERIVATIVES AS SMO INHIBITORS | GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) | 2017-02-01 | — | — | EP | disclosed |