Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 6/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | RORC | P51449 | 2/20 | 0.41 |
| ▸ | USP2 | O75604 | 3/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.40 |
| ▸ | TSHR | P16473 | 3/20 | 0.40 |
| ▸ | ACHE | P22303 | 3/20 | 0.40 |
| ▸ | BCHE | P06276 | 2/20 | 0.40 |
| ▸ | BACE1 | P56817 | 2/20 | 0.40 |
| ▸ | RECQL | P46063 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CCR3 | P51677 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL25746377 | 0.90 | HTR2A (0.43) | HTR2ACYP2D6MEN1KMT2ARORC | |
| SCHEMBL17109799 | 0.80 | ACHE (0.44) | HTR2AMEN1KMT2AACHEBCHE | |
| SCHEMBL13521597 | 0.77 | HTR2A (0.48) | HTR2ACYP2D6CYP3A4ACHEBCHE | |
| SCHEMBL15647532 | 0.74 | DRD4 (0.48) | CYP2D6MEN1KMT2ACYP3A4TSHR | |
| SCHEMBL2241410 | 0.73 | FUCA1 (0.45) | HTR2A | |
| SCHEMBL14457009 | 0.73 | ACHE (0.47) | HTR2ACYP2D6CYP3A4ACHEBCHE | |
| SCHEMBL764713 | 0.73 | ACHE (0.47) | HTR2ACYP2D6CYP3A4ACHEBCHE | |
| SCHEMBL12384783 | 0.72 | ACHE (0.51) | CYP2D6CYP3A4TSHRACHEBCHE | |
| SCHEMBL18986974 | 0.72 | HTR2A (0.42) | HTR2AACHEBCHEBACE1RECQL | |
| SCHEMBL760251 | 0.72 | HTR2A (0.42) | HTR2AACHEBCHEBACE1RECQL |
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-111233750-B | 3, 3-difluoro-1, 2,3, 6-tetrahydropiperidine derivative and preparation method thereof | 艾琪康医药科技（上海）有限公司 | 2023-12-05 | — | — | CN | disclosed |
| CN-111233750-A | 3, 3-difluoro-1, 2,3, 6-tetrahydropyridine derivatives and preparation method thereof | 艾琪康医药科技（上海）有限公司 | 2020-06-05 | — | — | CN | disclosed |