Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 1/20 | 0.62 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.62 |
| ▸ | POLB | P06746 | 2/20 | 0.56 |
| ▸ | PKM | P14618 | 2/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.49 |
| ▸ | HTT | P42858 | 2/20 | 0.47 |
| ▸ | GAA | P10253 | 3/20 | 0.47 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.47 |
| ▸ | APP | P05067 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 3/20 | 0.46 |
| ▸ | CA2 | P00918 | 3/20 | 0.46 |
| ▸ | CA9 | Q16790 | 3/20 | 0.46 |
| ▸ | CA12 | O43570 | 2/20 | 0.46 |
| ▸ | CA3 | P07451 | 2/20 | 0.46 |
| ▸ | CA4 | P22748 | 2/20 | 0.46 |
| ▸ | CA6 | P23280 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL10924203 | 0.88 | PKM (0.70) | PTGS1PTGS2POLBPKMALDH1A1 | |
| SCHEMBL8866738 | 0.86 | KMT2A (0.58) | PTGS1PTGS2POLBPKMALDH1A1 | |
| SCHEMBL3158508 | 0.80 | CA2 (0.67) | POLBALDH1A1LMNAKMT2AHTT | |
| SCHEMBL11855965 | 0.80 | CA2 (0.67) | POLBALDH1A1LMNAKMT2AHTT | |
| SCHEMBL11419996 | 0.80 | CA2 (0.67) | POLBALDH1A1LMNAKMT2AHTT | |
| SCHEMBL7140696 | 0.78 | CYP19A1 (0.48) | PTGS1PTGS2POLBPKMALDH1A1 | |
| SCHEMBL7141365 | 0.77 | HTR6 (0.59) | PTGS2PKMALDH1A1LMNAKMT2A | |
| SCHEMBL7142883 | 0.77 | ACHE (0.55) | POLBPKMALDH1A1KMT2AHTT | |
| SCHEMBL23906962 | 0.77 | MEN1 (0.63) | PTGS1PTGS2POLBALDH1A1LMNA | |
| SCHEMBL16797503 | 0.77 | PKM (0.57) | POLBPKMALDH1A1HTTGAA |
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 3 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 | 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 |
| EP-0930302-A2 | Benzosulfone derivatives | F.HOFFMANN-LA ROCHE AG (CH) | 1999-07-21 | — | — | EP | disclosed |