Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 4/20 | 0.53 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.50 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.50 |
| ▸ | HTR2A | P28223 | 1/20 | 0.50 |
| ▸ | HRH1 | P35367 | 1/20 | 0.50 |
| ▸ | HTR2B | P41595 | 1/20 | 0.50 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.50 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 4/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.47 |
| ▸ | MEN1 | O00255 | 3/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.47 |
| ▸ | XBP1 | P17861 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | PPARG | P37231 | 1/20 | 0.46 |
| ▸ | PPARA | Q07869 | 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 | |
|---|---|---|---|---|
| SCHEMBL3583487 | 0.86 | CYP2C19 (0.61) | KMT2ASLC6A2CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL11211304 | 0.86 | CYP2C19 (0.61) | KMT2ASLC6A2CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL25342273 | 0.82 | SLC6A4 (0.47) | KMT2ASLC6A4SLC6A2HTR2AHRH1 | |
| SCHEMBL3836527 | 0.82 | CYP19A1 (0.55) | KMT2ASLC6A4SLC6A2HTR2AHRH1 | |
| SCHEMBL17775050 | 0.82 | CYP2C19 (0.56) | KMT2ASLC6A2CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL5873436 | 0.81 | HTT (0.53) | KMT2ASLC6A4SLC6A2HTR2AHRH1 | |
| SCHEMBL11630873 | 0.80 | CYP19A1 (0.59) | CYP1A2CYP2C9CYP2C19CYP19A1 | |
| SCHEMBL30887388 | 0.79 | KMT2A (0.62) | KMT2ACYP1A2CYP2C9CYP2C19HTT | |
| SCHEMBL8867124 | 0.78 | SLC6A2 (0.60) | KMT2ASLC6A4SLC6A2HTR2AHRH1 | |
| SCHEMBL23795282 | 0.76 | KMT2A (0.51) | KMT2ASLC6A4SLC6A2SLC6A3CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2104677-A1 | SPIROPIPERIDINE GLYCINAMIDE DERIVATIVES | F. Hoffmann-Roche AG (CH) | 2009-09-30 | — | — | EP | disclosed |
| WO-2008084005-A1 | SPIROPIPERIDINE GLYCINAMIDE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2008-07-17 | — | — | WO | disclosed |