Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.41 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 4/20 | 0.39 |
| ▸ | CA2 | P00918 | 4/20 | 0.39 |
| ▸ | CA9 | Q16790 | 4/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| Setazindol SCHEMBL160950 | 0.80 | SLC6A4 (0.48) | SLC6A4SLC6A2SLC6A3CYP1A2CYP2D6 | |
| SCHEMBL9463489 | 0.74 | SLC6A2 (0.47) | L3MBTL1SLC6A4SLC6A2SLC6A3KDM4E | |
| SCHEMBL28770344 | 0.73 | CA12 (0.51) | SMN1; SMN2POLBL3MBTL1TMEM97SIGMAR1 | |
| SCHEMBL9784389 | 0.73 | CHRM2 (0.72) | SMN1; SMN2POLBCHRM2CA12CA2 | |
| SCHEMBL9664389 | 0.72 | SLC6A4 (0.72) | SMN1; SMN2SLC6A4SLC6A2SLC6A3MEN1 | |
| SCHEMBL19352867 | 0.71 | SMN1; SMN2 (0.50) | SMN1; SMN2POLBL3MBTL1KDM4EALDH1A1 | |
| SCHEMBL586358 | 0.69 | CYSLTR2 (0.48) | SLC6A4SLC6A2SLC6A3CYP2D6MEN1 | |
| SCHEMBL11922779 | 0.69 | CHRM2 (0.76) | SMN1; SMN2CHRM2CA12CA2CA9 | |
| SCHEMBL20535946 | 0.69 | CA12 (0.79) | SLC6A4CA12CA2CA9KDM4E | |
| SCHEMBL9128842 | 0.68 | SMN1; SMN2 (0.89) | SMN1; SMN2POLBL3MBTL1TMEM97SIGMAR1 |
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-5162371-A | Benzylamine Devivatives | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 1992-11-10 | — | — | US | disclosed |
| US-5028630-A | Benzylamines | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 1991-07-02 | — | — | US | disclosed |