Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.52 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.52 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.43 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.43 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.43 |
| ▸ | KDM1A | O60341 | 1/20 | 0.42 |
| ▸ | CASP1 | P29466 | 1/20 | 0.42 |
| ▸ | CASP4 | P49662 | 1/20 | 0.42 |
| ▸ | CASP5 | P51878 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | CHRM4 | P08173 | 3/20 | 0.41 |
| ▸ | SMO | Q99835 | 1/20 | 0.41 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL27902612 | 0.77 | SIGMAR1 (0.49) | ALDH1A1CHRM4MCHR1 | |
| Isophthalic Acid SCHEMBL27909047 | 0.77 | DRD4 (0.54) | CYP2D6CYP2C9HIF1AKDM4EALDH1A1 | |
| SCHEMBL16966428 | 0.77 | PIK3CA (0.65) | PIK3CAKDM4EALDH1A1HRH3 | |
| SCHEMBL785378 | 0.75 | CCR3 (0.44) | HCRTR1HCRTR2CHRM4KLKB1MCHR1 | |
| Isophthalic Acid SCHEMBL27831288 | 0.74 | SIGMAR1 (0.60) | CYP2D6CYP2C9HIF1AKDM4EALDH1A1 | |
| Isophthalic Acid SCHEMBL27903669 | 0.73 | SMN1; SMN2 (0.50) | CYP2D6CYP2C9HIF1APIK3CAKDM4E | |
| Isophthalic Acid SCHEMBL27788675 | 0.73 | SIGMAR1 (0.55) | HIF1ACHRM4KCNH2 | |
| SCHEMBL1516867 | 0.72 | PIK3CA (0.74) | PIK3CAKDM4EMEN1ALDH1A1GAA | |
| SCHEMBL31143236 | 0.72 | PIK3CA (0.74) | PIK3CAKDM4EMEN1ALDH1A1GAA | |
| Isophthalic Acid SCHEMBL27751338 | 0.72 | SMN1; SMN2 (0.52) | CYP2D6CYP2C9HIF1APIK3CAKDM4E |
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-103097354-A | Substituted benzamide compounds | GRUENENTHAL CHEMIE | 2013-05-08 | — | — | CN | disclosed |