Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | PON1 | P27169 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | HTR1D | P28221 | 7/20 | 0.35 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.34 |
| ▸ | HTR1B | P28222 | 2/20 | 0.33 |
| ▸ | HTR1A | P08908 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | RECQL | P46063 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL10442609 | 0.88 | CYP1A2 (0.47) | CYP2C19CYP1A2PON1ALDH1A1HPGD | |
| SCHEMBL9250696 | 0.81 | CYP1A2 (0.42) | CYP2C19CYP1A2ALDH1A1HPGDALOX15 | |
| SCHEMBL2582081 | 0.79 | CYP2C19 (0.47) | CYP2C19CYP1A2PON1ALDH1A1HPGD | |
| SCHEMBL31222192 | 0.78 | CYP1A2 (0.40) | CYP2C19CYP1A2ALDH1A1HPGDALOX15 | |
| SCHEMBL944498 | 0.78 | CYP2C19 (0.46) | CYP2C19CYP1A2PON1ALDH1A1HPGD | |
| SCHEMBL1447610 | 0.78 | KLF10 (0.47) | CYP2C19CYP1A2ALDH1A1HPGDALOX15 | |
| SCHEMBL28018420 | 0.77 | CYP2C19 (0.42) | CYP2C19CYP1A2ALDH1A1CYP2D6HTR1A | |
| SCHEMBL6712753 | 0.76 | CYP2C19 (0.44) | CYP2C19CYP1A2PON1ALDH1A1HPGD | |
| SCHEMBL28125192 | 0.76 | CYP1A2 (0.44) | CYP2C19CYP1A2PON1ALDH1A1HPGD | |
| SCHEMBL676422 | 0.76 | CYP1A2 (0.44) | CYP2C19CYP1A2PON1ALDH1A1HPGD |
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 |
|---|---|---|---|---|---|---|---|
| US-5420343-A | ANTIINFLAMMATORY AGENTS; CYCLOOXYGENASE INHIBITORS | G. D. SEARLE & CO. (US) | 1995-05-30 | — | — | US | disclosed |