Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 2/20 | 0.37 |
| ▸ | RHEB | Q15382 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 4/20 | 0.35 |
| ▸ | HTR1A | P08908 | 1/20 | 0.35 |
| ▸ | DRD2 | P14416 | 1/20 | 0.35 |
| ▸ | DRD1 | P21728 | 1/20 | 0.35 |
| ▸ | HTR1B | P28222 | 1/20 | 0.35 |
| ▸ | HTR2C | P28335 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL20554767 | 1.00 | HTT (0.37) | HTTRHEBHTR2AHTR1ADRD2 | |
| SCHEMBL20554071 | 0.83 | TRPV1 (0.35) | HTR2AHTR1ADRD2DRD1HTR1B | |
| SCHEMBL30132701 | 0.83 | TRPV1 (0.35) | HTR2AHTR1ADRD2DRD1HTR1B | |
| SCHEMBL20554614 | 0.78 | HTT (0.37) | HTTRHEBHTR2ADRD2MEN1 | |
| SCHEMBL873501 | 0.77 | DRD2 (0.54) | HTR2AHTR1ADRD2DRD1HTR1B | |
| SCHEMBL873500 | 0.77 | DRD2 (0.54) | HTR2AHTR1ADRD2DRD1HTR1B | |
| SCHEMBL4839911 | 0.77 | DRD2 (0.54) | HTR2AHTR1ADRD2DRD1HTR1B | |
| SCHEMBL14157832 | 0.77 | DRD2 (0.54) | HTR2AHTR1ADRD2DRD1HTR1B | |
| SCHEMBL24088989 | 0.76 | MTNR1A (0.52) | MAPTMTNR1AMTNR1BLMNAPOLB | |
| Hydrochloric Acid SCHEMBL8823809 | 0.76 | DRD2 (0.53) | HTR2AHTR1ADRD2DRD1HTR1B |
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-110770211-B | Alpha, beta unsaturated amide compound | 协和麒麟株式会社 | 2023-09-19 | — | — | CN | disclosed |
| CN-108430972-B | Alpha, beta-unsaturated amide compound | 协和麒麟株式会社 | 2022-12-27 | — | — | CN | disclosed |