Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.44 |
| ▸ | GAA | P10253 | 5/20 | 0.44 |
| ▸ | ESR1 | P03372 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.44 |
| ▸ | MAPT | P10636 | 5/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.44 |
| ▸ | MEN1 | O00255 | 3/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | USP2 | O75604 | 2/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | CASP1 | P29466 | 1/20 | 0.42 |
| ▸ | BRCA1 | P38398 | 1/20 | 0.42 |
| ▸ | CASP7 | P55210 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL16880085 | 0.93 | ALDH1A1 (0.42) | ALDH1A1GAAESR1KMT2AMAPT | |
| SCHEMBL16888126 | 0.89 | RORC (0.53) | ALDH1A1GAAESR1RORCRORB | |
| SCHEMBL16888044 | 0.86 | ALDH1A1 (0.43) | ALDH1A1GAAESR1KMT2AMAPT | |
| SCHEMBL16888045 | 0.81 | RORC (0.44) | ALDH1A1GAAESR1KMT2AMAPT | |
| SCHEMBL16888130 | 0.80 | RORC (0.50) | ALDH1A1GAAESR1KMT2AMAPT | |
| SCHEMBL16888085 | 0.80 | KMT2A (0.41) | ALDH1A1GAAESR1KMT2AMAPT | |
| SCHEMBL16888127 | 0.78 | PIK3CG (0.45) | ALDH1A1GAAESR1KMT2AMAPT | |
| SCHEMBL16888065 | 0.78 | RORC (0.42) | RORCRORBRORANR1I2 | |
| SCHEMBL16888149 | 0.78 | RORC (0.55) | ALDH1A1GAAESR1KMT2AMAPT | |
| SCHEMBL16888068 | 0.77 | RORC (0.41) | KMT2AMEN1NPSR1RORCRORB |
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 |
|---|---|---|---|---|---|---|---|
| WO-2015101928-A1 | FUSED THIOPHENE AND THIAZOLE DERIVATIVES AS ROR GAMMA MODULATORS | AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) | 2015-07-09 | — | — | WO | disclosed |