Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASR | P41180 | 1/20 | 0.41 |
| ▸ | ADRA1D | P25100 | 4/20 | 0.40 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.40 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.40 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.38 |
| ▸ | WDR77 | Q9BQA1 | 1/20 | 0.38 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.37 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.37 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.36 |
| ▸ | DRD1 | P21728 | 1/20 | 0.36 |
| ▸ | THRA | P10827 | 1/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL16541588 | 0.84 | CYP1A2 (0.53) | CASRADRA1DADRA1AADRA1BADRA2A | |
| SCHEMBL17861662 | 0.82 | CASR (0.43) | CASRADRA1DADRA1AADRA1BCYP1A2 | |
| SCHEMBL10458618 | 0.81 | ADRA1D (0.43) | CASRADRA1DADRA1AADRA1BPRMT5 | |
| SCHEMBL13589549 | 0.81 | CASR (0.42) | CASRADRA1DADRA1AADRA1BPRMT5 | |
| SCHEMBL19277425 | 0.81 | CASR (0.45) | CASRADRA1DADRA1AADRA1BPRMT5 | |
| SCHEMBL17848675 | 0.79 | CASR (0.41) | CASRADRA1DADRA1AADRA1BPRMT5 | |
| SCHEMBL12125057 | 0.78 | ALDH1A1 (0.48) | CASRALDH1A1HTTL3MBTL1MAPT | |
| SCHEMBL17911627 | 0.77 | KDM4E (0.52) | CYP1A2CYP2C9CYP2C19ALDH1A1HPGD | |
| SCHEMBL29755650 | 0.77 | KDM4E (0.52) | CYP1A2CYP2C9CYP2C19ALDH1A1HPGD | |
| SCHEMBL13589521 | 0.75 | CASR (0.43) | CASRADRA1DADRA1AADRA1BPRMT5 |
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 |
|---|---|---|---|---|---|---|---|
| US-5374772-A | Skin disorders, antiinflammatory agents, cardiovascular disorders | HOFFMANN-LAROCHE INC. (US) | 1994-12-20 | — | — | US | disclosed |
| EP-0601385-A1 | Disubstituted benzoic acid derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 1994-06-15 | — | — | EP | disclosed |