Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 1/20 | 0.54 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.54 |
| ▸ | GABBR2 | O75899 | 7/20 | 0.50 |
| ▸ | GABBR1 | Q9UBS5 | 7/20 | 0.50 |
| ▸ | LMNA | P02545 | 3/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | THRB | P10828 | 2/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.50 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.50 |
| ▸ | DRD3 | P35462 | 1/20 | 0.50 |
| ▸ | BLM | P54132 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.48 |
| ▸ | SLC6A2 | P23975 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8621230 | 0.86 | GABBR2 (0.53) | GABBR2GABBR1SLC6A4SLC6A2SLC6A3 | |
| SCHEMBL8810284 | 0.86 | GABBR2 (0.53) | GABBR2GABBR1SLC6A4SLC6A2SLC6A3 | |
| SCHEMBL1541691 | 0.86 | GABBR2 (0.53) | GABBR2GABBR1SLC6A4SLC6A2SLC6A3 | |
| Hydrochloric Acid SCHEMBL1983404 | 0.84 | GABBR2 (0.52) | GABBR2GABBR1SLC6A4SLC6A2SLC6A3 | |
| SCHEMBL10513800 | 0.84 | TAAR1 (0.47) | GABBR2GABBR1SLC6A4SLC6A2SLC6A3 | |
| Hydrochloric Acid SCHEMBL9735022 | 0.82 | TAAR1 (0.46) | GABBR2GABBR1SLC6A4SLC6A2SLC6A3 | |
| Hydrochloric Acid SCHEMBL9735324 | 0.81 | CHRNB2 (0.55) | CHRNB2CHRNA4GABBR2GABBR1LMNA | |
| SCHEMBL15903897 | 0.81 | ESR1 (0.55) | GABBR2GABBR1SLC6A2TAAR1 | |
| SCHEMBL5721773 | 0.81 | ESR1 (0.55) | CHRNB2CHRNA4LMNAMEN1KMT2A | |
| SCHEMBL11861767 | 0.81 | MEN1 (0.48) | CHRNB2CHRNA4MEN1KMT2ACYP1A2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2007017652-A2 | ARYLAKYLAMINES FOR THE TREATMENT OF CANCER | ASTRAZENECA AB (SE) | 2007-02-15 | — | — | WO | claimed |
| EP-2948135-A1 | COMPOSITIONS AND METHODS FOR THE TREATMENT OF PERVASIVE DEVELOPMENT DISORDERS | Case Western Reserve University (US) | 2015-12-02 | — | — | EP | disclosed |
| WO-2014117089-A1 | COMPOSITIONS AND METHODS FOR THE TREATMENT OF PERVASIVE DEVELOPMENT DISORDERS | CASE WESTERN RESERVE UNIVERSITY (US) | 2014-07-31 | — | — | WO | disclosed |
| WO-2007017652-A2 | ARYLAKYLAMINES FOR THE TREATMENT OF CANCER | ASTRAZENECA AB (SE) | 2007-02-15 | — | — | WO | disclosed |