Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 17/20 | 0.61 |
| ▸ | MAOA | P21397 | 11/20 | 0.61 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.59 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.59 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.59 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.59 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.59 |
| ▸ | ACHE | P22303 | 1/20 | 0.58 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.50 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.46 |
| ▸ | CYP1B1 | Q16678 | 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 | |
|---|---|---|---|---|
| SCHEMBL22735834 | 0.86 | MAOB (0.58) | MAOBMAOACYP1A2CYP2D6CYP19A1 | |
| SCHEMBL28131432 | 0.81 | MAOB (0.48) | MAOBMAOACYP1A2CYP2D6CYP19A1 | |
| SCHEMBL536433 | 0.78 | MAOB (0.68) | MAOBMAOACYP1A2ACHEGSTP1 | |
| SCHEMBL9155218 | 0.78 | GSTP1 (0.68) | MAOBMAOACYP1A2ACHEGSTP1 | |
| SCHEMBL4906246 | 0.77 | KDM4E (0.50) | CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19 | |
| SCHEMBL5704167 | 0.75 | CA12 (0.63) | MAOBMAOACYP1A2ACHEGSTP1 | |
| SCHEMBL1566968 | 0.75 | KDM4E (0.72) | CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19 | |
| SCHEMBL30989133 | 0.75 | KDM4E (0.72) | CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19 | |
| SCHEMBL30989132 | 0.75 | KDM4E (0.72) | CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19 | |
| SCHEMBL4817018 | 0.75 | GSTP1 (0.56) | MAOBMAOACYP1A2CYP2D6CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| CN-108503867-B | Porous low-dielectric-constant diacetylene polymer film and preparation method thereof | 北京航空航天大学 | 2020-11-06 | — | — | CN | disclosed |