Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.41 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | P2RX7 | Q99572 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | RECQL | P46063 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 2/20 | 0.34 |
| ▸ | BRD4 | O60885 | 1/20 | 0.33 |
| ▸ | SHMT1 | P34896 | 1/20 | 0.33 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28794058 | 0.76 | CYP2C9 (0.49) | MEN1OPRM1OPRD1KMT2ACYP2C9 | |
| SCHEMBL6111389 | 0.74 | CYP2C9 (0.50) | OPRM1OPRD1CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL534537 | 0.72 | NPSR1 (0.36) | MEN1OPRM1OPRD1KMT2ANPSR1 | |
| SCHEMBL8802782 | 0.70 | ALDH1A1 (0.42) | MEN1OPRM1OPRD1KMT2ACYP2C9 | |
| Methacrylic Acid SCHEMBL28898688 | 0.70 | NPSR1 (0.46) | NPSR1CYP2C9CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL13571265 | 0.70 | NPSR1 (0.37) | MEN1OPRM1OPRD1KMT2ANPSR1 | |
| SCHEMBL28512757 | 0.70 | XPO1 (0.45) | — | |
| SCHEMBL522024 | 0.70 | HRH4 (0.46) | NPSR1MAOAPGK1PGK2LOXL2 | |
| SCHEMBL5948337 | 0.70 | CYP3A4 (0.67) | OPRM1OPRD1CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL17674537 | 0.69 | KMT2A (0.44) | MEN1KMT2ACYP2C9CYP2C19CYP1A2 |
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-111683926-A | Compound (I) | 企业治疗学有限公司 | 2020-09-18 | — | — | CN | disclosed |