Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | MPL | P40238 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | ABL1 | P00519 | 1/20 | 0.32 |
| ▸ | BCR | P11274 | 1/20 | 0.32 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.31 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.31 |
| ▸ | KIF11 | P52732 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL29563920 | 0.79 | CYP19A1 (0.46) | CYP19A1CYP3A4ABL1BCRKIF11 | |
| SCHEMBL742533 | 0.79 | CYP19A1 (0.46) | CYP19A1CYP3A4ABL1BCRKIF11 | |
| Phenol SCHEMBL28808335 | 0.77 | CYP19A1 (0.44) | CYP19A1LMNATRPV4 | |
| Pyrimidine SCHEMBL28216864 | 0.75 | CYP2A6 (0.45) | ALDH1A1KDM4ECYP3A4CYP1A2CYP2D6 | |
| Hydrazine SCHEMBL4301523 | 0.75 | HSP90AA1 (0.44) | CYP19A1CYP3A4ABL1BCRKIF11 | |
| SCHEMBL27617622 | 0.70 | ALOX5AP (0.39) | CYP19A1L3MBTL1ABL1BCRKMT2A | |
| Pyridine SCHEMBL28954455 | 0.69 | CYP2A6 (0.47) | ALDH1A1KDM4ECYP3A4TSHRCYP2E1 | |
| Piperazine SCHEMBL4824527 | 0.69 | ADRB1 (0.46) | CYP19A1ABL1BCRKIF11MAPK1 | |
| SCHEMBL15349416 | 0.69 | CES2 (0.43) | ALDH1A1KDM4EL3MBTL1CYP3A4TSHR | |
| SCHEMBL9016 | 0.69 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108069937-B | Phenyl piperidine derivatives, methods of use and uses thereof | 广东东阳光药业有限公司 | 2022-07-26 | — | — | CN | disclosed |
| CN-108069937-A | Phenylpiperidine derivative and its application method and purposes | 广东东阳光药业有限公司 | 2018-05-25 | — | — | CN | disclosed |
| CN-101296925-A | Novel benzopyran derivatives as potassium channel openers | JANSSEN PHARMACEUTICA NV (BE) | 2008-10-29 | — | — | CN | disclosed |
| CN-101296731-A | Novel benzopyran derivatives as potassium channel openers | JANSSEN PHARMACEUTICA NV (BE) | 2008-10-29 | — | — | CN | disclosed |