Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.41 |
| ▸ | HTT | P42858 | 3/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | HCRTR1 | O43613 | 4/20 | 0.39 |
| ▸ | HCRTR2 | O43614 | 4/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 4/20 | 0.39 |
| ▸ | CA2 | P00918 | 4/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL3366253 | 0.81 | CYP2C19 (0.44) | CYP2C19KDM4EHTTSMN1; SMN2HCRTR1 | |
| SCHEMBL3367339 | 0.79 | CYP2C19 (0.43) | CYP2C19KDM4EHTTSMN1; SMN2HCRTR1 | |
| SCHEMBL3368142 | 0.78 | CYP2C19 (0.44) | CYP2C19KDM4EHTTHCRTR1HCRTR2 | |
| SCHEMBL3367004 | 0.77 | CYP2C19 (0.41) | CYP2C19KDM4EHTTSMN1; SMN2HCRTR1 | |
| SCHEMBL3370780 | 0.77 | CYP2C19 (0.41) | CYP2C19KDM4EHTTSMN1; SMN2HCRTR1 | |
| SCHEMBL3370504 | 0.77 | CYP2C19 (0.43) | CYP2C19KDM4EHTTSMN1; SMN2ALDH1A1 | |
| SCHEMBL3369526 | 0.77 | MMP8 (0.48) | CYP2C19KDM4EHTTSMN1; SMN2ALDH1A1 | |
| SCHEMBL3366078 | 0.77 | HCRTR1 (0.46) | CYP2C19KDM4EHCRTR1HCRTR2ALDH1A1 | |
| SCHEMBL3366832 | 0.75 | CYP2C19 (0.41) | CYP2C19KDM4EHTTSMN1; SMN2HCRTR1 | |
| SCHEMBL3370356 | 0.74 | ALDH1A1 (0.51) | CYP2C19KDM4EHTTSMN1; SMN2HCRTR1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1532141-B1 | 2-PYRROLIDIN-2-YL- [1,3,4]-OXADIAZOLE DERIVATIVES AND THE USE OF THE SAME AS ANTIDEPRESSANTS | GRUENENTHAL GMBH (DE) | 2010-10-13 | — | — | EP | disclosed |