Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2E1 | P05181 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | THRB | P10828 | 1/20 | 0.31 |
| ▸ | MME | P08473 | 1/20 | 0.30 |
| ▸ | ACE | P12821 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL7306055 | 0.77 | HDAC3 (0.37) | CYP2E1CYP3A4CYP2D6CYP2A6CYP2C9 | |
| SCHEMBL27926040 | 0.77 | THRB (0.33) | CYP2D6CYP2C9CYP2C19KDM4ESMN1; SMN2 | |
| SCHEMBL7307513 | 0.76 | CYP2D6 (0.35) | CYP2E1CYP3A4CYP2D6CYP2A6CYP2C9 | |
| SCHEMBL7312968 | 0.76 | EPHX1 (0.32) | CYP2E1CYP3A4CYP2D6CYP2A6CYP2C9 | |
| SCHEMBL7300483 | 0.74 | MAPK8 (0.33) | CYP3A4KDM4ESMN1; SMN2 | |
| SCHEMBL28087459 | 0.74 | LOXL2 (0.43) | CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6 | |
| SCHEMBL7307448 | 0.72 | PGR (0.35) | SMN1; SMN2 | |
| SCHEMBL7302686 | 0.72 | KMT2A (0.36) | — | |
| SCHEMBL28149834 | 0.72 | LOXL2 (0.41) | — | |
| SCHEMBL17297115 | 0.72 | KDM4E (0.47) | KDM4ESMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-103596928-B | Neprilysin inhibitors | 施万生物制药研发IP有限责任公司 | 2017-02-15 | — | — | CN | disclosed |
| CN-103582630-B | Enkephalinase inhibitor | 施万生物制药研发IP有限责任公司 | 2016-08-17 | — | — | CN | disclosed |