Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 2/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | DRD2 | P14416 | 1/20 | 0.37 |
| ▸ | DRD3 | P35462 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | GRM5 | P41594 | 2/20 | 0.36 |
| ▸ | HTR1A | P08908 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| SCHEMBL25295383 | 1.00 | ALDH1A1 (0.45) | ALDH1A1TSHRMEN1KMT2AGAA | |
| SCHEMBL25436394 | 0.91 | ALDH1A1 (0.41) | ALDH1A1TSHRMEN1KMT2AGAA | |
| SCHEMBL25436389 | 0.91 | ALDH1A1 (0.41) | ALDH1A1TSHRMEN1KMT2AGAA | |
| SCHEMBL30020976 | 0.86 | GPR119 (0.42) | ALDH1A1TSHRMEN1KMT2AGAA | |
| SCHEMBL30325528 | 0.75 | CCR2 (0.40) | ALDH1A1MEN1KMT2AGAANPSR1 | |
| SCHEMBL30325596 | 0.73 | CDK9 (0.45) | — | |
| SCHEMBL24212057 | 0.71 | GPR119 (0.35) | ALDH1A1TSHRSMN1; SMN2DRD2DRD3 | |
| SCHEMBL2586854 | 0.71 | GPR119 (0.42) | MEN1KMT2AGAAHTTNPSR1 | |
| SCHEMBL17728500 | 0.69 | TSHR (0.36) | TSHRMEN1KMT2ASMN1; SMN2SLC6A2 | |
| SCHEMBL1267331 | 0.68 | ALDH1A1 (0.55) | ALDH1A1TSHRDRD2DRD3GRM5 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023136279-A1 | CRYSTAL OF SUBSTITUTED PIPERIDINE COMPOUND, SALTS OF SUBSTITUTED PIPERIDINE COMPOUND, AND CRYSTALS THEREOF | エーザイ・アール・アンド・ディー・マネジメント株式会社 | 2023-07-20 | — | — | WO | disclosed |