Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | HTT | P42858 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | LSS | P48449 | 2/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.33 |
| ▸ | RELA | Q04206 | 1/20 | 0.33 |
| ▸ | NAAA | Q02083 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | ADH1C | P00326 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL10848658 | 1.00 | CYP1A2 (0.47) | CYP1A2HTTLMNAMAPK1MAPT | |
| SCHEMBL10842640 | 0.94 | CYP1A2 (0.41) | CYP1A2HTTLMNAMAPK1MAPT | |
| SCHEMBL10842643 | 0.94 | CYP1A2 (0.41) | CYP1A2HTTLMNAMAPK1MAPT | |
| SCHEMBL10994305 | 0.93 | CYP1A2 (0.39) | CYP1A2HTTLMNAMAPK1MAPT | |
| SCHEMBL10994309 | 0.93 | CYP1A2 (0.39) | CYP1A2HTTLMNAMAPK1MAPT | |
| SCHEMBL24293944 | 0.83 | TLR4 (0.35) | CYP2C9 | |
| SCHEMBL12916614 | 0.79 | — | — | |
| SCHEMBL7799123 | 0.79 | MAPT (0.45) | CYP1A2HTTLMNAMAPK1MAPT | |
| SCHEMBL820463 | 0.79 | MAPT (0.45) | CYP1A2HTTLMNAMAPK1MAPT | |
| SCHEMBL9626313 | 0.77 | CYP1A2 (0.42) | CYP1A2HTTLMNAMAPK1MAPT |
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-4595521-A | In liquid crystalline carrier | HOFFMANN-LA ROCHE INC. (US) | 1986-06-17 | — | — | US | disclosed |
| EP-0111695-A2 | Pyridazine derivatives | F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) | 1984-06-27 | — | — | EP | disclosed |