Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 3/20 | 0.47 |
| ▸ | RAPGEF4 | Q8WZA2 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | FFAR4 | Q5NUL3 | 2/20 | 0.43 |
| ▸ | HTR6 | P50406 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | LOXL2 | Q9Y4K0 | 2/20 | 0.40 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.40 |
| ▸ | NQO2 | P16083 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 2/20 | 0.39 |
| ▸ | LOX | P28300 | 1/20 | 0.39 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.39 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.39 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL27470882 | 0.87 | PKM (0.47) | PKMRAPGEF4POLBTSHRMAPK1 | |
| SCHEMBL436337 | 0.84 | ALDH1A1 (0.55) | PKMRAPGEF4POLBTSHRMAPK1 | |
| SCHEMBL7141365 | 0.80 | HTR6 (0.59) | PKMTSHRMAPK1HTR6ALDH1A1 | |
| SCHEMBL7188795 | 0.79 | ALDH1A1 (0.47) | PKMRAPGEF4POLBTSHRHTR6 | |
| SCHEMBL13783389 | 0.78 | ALDH1A1 (0.53) | PKMPOLBTSHRMAPK1HTR6 | |
| SCHEMBL7194320 | 0.78 | ALDH1A1 (0.69) | PKMPOLBTSHRHTR6ALDH1A1 | |
| SCHEMBL7140696 | 0.77 | CYP19A1 (0.48) | PKMRAPGEF4POLBTSHRMAPK1 | |
| SCHEMBL7185483 | 0.77 | LMNA (0.69) | PKMPOLBTSHRHTR6ALDH1A1 | |
| SCHEMBL11320791 | 0.73 | CA2 (0.46) | PKMTSHRHTR6ALDH1A1GAA | |
| SCHEMBL10353014 | 0.73 | HTT (0.55) | PKMRAPGEF4POLBTSHRHTR6 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0930302-B1 | Benzosulfone derivatives | HOFFMANN LA ROCHE (CH) | 2003-04-02 | — | — | EP | claimed |
| US-5990105-A | POSSESS A SELECTIVE AFFINITY TO 5HT-6 RECEPTORS; TREATING OR PREVENTING PSYCHOSES, SCHIZOPHRENIA, MANIC DEPRESSIONS, DEPRESSIONS, NEUROLOGICAL DISORDERS, PARKINSON'S, AMYOTROPHIC LATERAL SCLEROSIS, ALZHEIMER'S AND HUNTINGTON'S DISEASE | HOFFMANN-LA ROCHE INC. (US) | 1999-11-23 | — | — | US | claimed |
| EP-0930302-A2 | Benzosulfone derivatives | F.HOFFMANN-LA ROCHE AG (CH) | 1999-07-21 | — | — | EP | claimed |
| CN-1148356-C | Benzosulfone derivatives | - | 2004-05-05 | — | — | CN | disclosed |
| EP-0930302-B1 | Benzosulfone derivatives | HOFFMANN LA ROCHE (CH) | 2003-04-02 | — | — | EP | disclosed |
| US-5990105-A | POSSESS A SELECTIVE AFFINITY TO 5HT-6 RECEPTORS; TREATING OR PREVENTING PSYCHOSES, SCHIZOPHRENIA, MANIC DEPRESSIONS, DEPRESSIONS, NEUROLOGICAL DISORDERS, PARKINSON'S, AMYOTROPHIC LATERAL SCLEROSIS, ALZHEIMER'S AND HUNTINGTON'S DISEASE | HOFFMANN-LA ROCHE INC. (US) | 1999-11-23 | — | — | US | disclosed |
| CN-1231287-A | Benzosulfone derivatives | HOFFMANN LA ROCHE (CH) | 1999-10-13 | — | — | CN | disclosed |
| EP-0930302-A2 | Benzosulfone derivatives | F.HOFFMANN-LA ROCHE AG (CH) | 1999-07-21 | — | — | EP | disclosed |