Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 6/20 | 0.50 |
| ▸ | ESR2 | Q92731 | 6/20 | 0.50 |
| ▸ | MAPK14 | Q16539 | 7/20 | 0.49 |
| ▸ | MAPK10 | P53779 | 2/20 | 0.46 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.46 |
| ▸ | CSNK1D | P48730 | 1/20 | 0.46 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.44 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.44 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.40 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.40 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.40 |
| ▸ | CYP17A1 | P05093 | 2/20 | 0.40 |
| ▸ | CYP19A1 | P11511 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL29182020 | 0.98 | ESR1 (0.49) | ESR1ESR2MAPK14MAPK10MAPK9 | |
| SCHEMBL13588378 | 0.85 | ESR1 (0.51) | ESR1ESR2 | |
| SCHEMBL13070033 | 0.83 | ESR1 (0.50) | ESR1ESR2EPHX2 | |
| SCHEMBL13069910 | 0.82 | ESR1 (0.53) | ESR1ESR2TP53 | |
| SCHEMBL14081509 | 0.82 | ESR1 (0.53) | ESR1ESR2 | |
| SCHEMBL5378603 | 0.82 | ESR1 (0.76) | ESR1ESR2 | |
| SCHEMBL25261584 | 0.81 | SMN1; SMN2 (0.50) | ESR1ESR2CYP11B1CYP11B2EPHX2 | |
| SCHEMBL5374898 | 0.78 | MAOB (0.52) | ESR1ESR2 | |
| SCHEMBL13069526 | 0.78 | ESR1 (0.49) | ESR1ESR2 | |
| SCHEMBL13069916 | 0.78 | ESR1 (0.49) | ESR1ESR2MAPK14MAPK10MAPK9 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117777131-B | Synthesis method of paliperidone and key intermediate thereof | 合肥华方医药科技有限公司 | 2024-06-11 | — | — | CN | claimed |
| CN-117777131-A | Synthesis method of paliperidone and key intermediate thereof | 合肥华方医药科技有限公司 | 2024-03-29 | — | — | CN | claimed |
| CN-117777131-B | Synthesis method of paliperidone and key intermediate thereof | 合肥华方医药科技有限公司 | 2024-06-11 | — | — | CN | disclosed |
| CN-117777131-B | Synthesis method of paliperidone and key intermediate thereof | 合肥华方医药科技有限公司 | 2024-06-11 | — | — | CN | disclosed |
| CN-117777131-A | Synthesis method of paliperidone and key intermediate thereof | 合肥华方医药科技有限公司 | 2024-03-29 | — | — | CN | disclosed |
| CN-117777131-A | Synthesis method of paliperidone and key intermediate thereof | 合肥华方医药科技有限公司 | 2024-03-29 | — | — | CN | disclosed |
| EP-0695751-B1 | AGENT ACTING ON THE CENTRAL NERVOUS SYSTEM, PROCESS FOR ITS PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING IT | VITA INVEST SA (ES) | 1997-03-26 | — | — | EP | disclosed |
| EP-0695751-A1 | AGENT ACTING ON THE CENTRAL NERVOUS SYSTEM, PROCESS FOR ITS PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING IT | VITA-INVEST, S.A. (ES) | 1996-02-07 | — | — | EP | disclosed |
| CN-86101906-A | Process for preparing 1, 2 benzisoxazol-3-yl and 1, 2 benzisothiazol-3-yl derivatives | — | 1986-10-01 | — | — | CN | disclosed |