Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.71 |
| ▸ | CA1 | P00915 | 1/20 | 0.71 |
| ▸ | CA2 | P00918 | 1/20 | 0.71 |
| ▸ | CA7 | P43166 | 1/20 | 0.71 |
| ▸ | CA9 | Q16790 | 1/20 | 0.71 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.71 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.68 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.67 |
| ▸ | POLB | P06746 | 1/20 | 0.67 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.67 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.64 |
| ▸ | MEN1 | O00255 | 2/20 | 0.63 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.63 |
| ▸ | SLC6A7 | Q99884 | 2/20 | 0.63 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.63 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.62 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.62 |
| ▸ | HPGD | P15428 | 1/20 | 0.61 |
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 | |
|---|---|---|---|---|
| SCHEMBL22305103 | 1.00 | CA12 (0.71) | CA12CA1CA2CA7CA9 | |
| SCHEMBL3047748 | 0.92 | CA12 (0.63) | CA12CA1CA2CA7CA9 | |
| SCHEMBL643480 | 0.91 | ALDH1A1 (0.69) | CA12CA1CA2CA7CA9 | |
| SCHEMBL31334408 | 0.91 | HPGD (0.76) | CA12CA1CA2CA7CA9 | |
| SCHEMBL9364495 | 0.90 | EPHX2 (0.77) | CA12CA1CA2CA7CA9 | |
| SCHEMBL3093672 | 0.90 | CA12 (0.61) | CA12CA1CA2CA7CA9 | |
| SCHEMBL7848596 | 0.90 | POLB (0.62) | CA12CA1CA2CA7CA9 | |
| Hydrochloric Acid SCHEMBL5337680 | 0.90 | ALDH1A1 (0.67) | CA12CA1CA2CA7CA9 | |
| SCHEMBL3355334 | 0.90 | HPGD (0.80) | CA12CA1CA2CA7CA9 | |
| SCHEMBL18867940 | 0.90 | HPGD (0.80) | CA12CA1CA2CA7CA9 |
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 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0900792-B1 | Piperazine and piperidine derivatives as 5-HT1A and dopamine D2-receptor (ant)agonists | DUPHAR INT RES (NL) | 2003-10-29 | — | — | EP | disclosed |
| US-6214829-B1 | NERVOUS SYSTEM, PSYCHOLOGICAL DISORDERS | DUPHAR INTERNATIONAL RESEARCH B.V. (NL) | 2001-04-10 | — | — | US | disclosed |
| CN-1054882-C | Enzymatic process for the stereoselective preparation of hetero-bicyclic alcohol enantiomers | DUPHAR INT RES (NL) | 2000-07-26 | — | — | CN | disclosed |
| CN-1255496-A | Application of heterobicyclic alcohol antimer for preparing piperazine derivative | DUPHAR INT RES (NL) | 2000-06-07 | — | — | CN | disclosed |
| EP-0939135-A1 | Substantially pure hetero-bicyclic alcohol enantiomers | DUPHAR INTERNATIONAL RESEARCH B.V (NL) | 1999-09-01 | — | — | EP | disclosed |
| EP-0605033-B1 | Enzymatic process for the stereoselective preparation of a hetero-bicyclic alcohol enantiomer | DUPHAR INT RES (NL) | 1999-07-21 | — | — | EP | disclosed |
| US-5914263-A | Enzymatic process for the stereoselective preparation of a hetero-bicyclic alcohol enantiomer | DUPHAR INTERNATIONAL RESEARCH B.V. (NL) | 1999-06-22 | — | — | US | disclosed |
| EP-0900792-A1 | Piperazine and piperidine derivatives as 5-HT1 receptor agonists | DUPHAR INTERNATIONAL RESEARCH B.V (NL) | 1999-03-10 | — | — | EP | disclosed |
| CN-1101378-A | Enzymatic process for the stereoselective preparation of hetero-bicyclic alcohol enantiomers | DUPHAR INT RES (NL) | 1995-04-12 | — | — | CN | disclosed |
| EP-0605033-A1 | Enzymatic process for the stereoselective preparation of a hetero-bicyclic alcohol enantiomer | DUPHAR INTERNATIONAL RESEARCH B.V (NL) | 1994-07-06 | — | — | EP | disclosed |
| EP-0010661-B1 | ISOQUINOLINE DERIVATIVES, PROCESS FOR THEIR PREPARATION, INTERMEDIATES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) | 1984-09-12 | — | — | EP | disclosed |
| US-4442291-A | INTERMEDIATE FOR ANTIPSYCHOTIC AGENTS | HOFFMANN-LA ROCHE INC. (US) | 1984-04-10 | — | — | US | disclosed |
| EP-0076530-A2 | Novel N-(3-hydroxy-4-piperidinyl)benzamide derivatives | JANSSEN PHARMACEUTICA N.V. (BE) | 1983-04-13 | — | — | EP | disclosed |
| US-4349678-A | NEUROLEPTIC AGENTS | HOFFMANN-LA ROCHE INC. (US) | 1982-09-14 | — | — | US | disclosed |
| EP-0005318-B1 | N-HETEROCYCLYL-4-PIPERIDINAMINES, METHODS FOR THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS COMPRISING THEM, INTERMEDIATES THEREFOR, AND METHOD FOR THE PREPARATION OF THE INTERMEDIATES | JANSSEN PHARMACEUTICA N.V. (BE) | 1982-01-06 | — | — | EP | disclosed |
| US-4260762-A | NEUROLEPTICS | HOFFMANN-LA ROCHE INC. (US) | 1981-04-07 | — | — | US | disclosed |
| US-4219559-A | N-Heterocyclyl-4-piperidinamines | JANSSEN PHARMACEUTICA N.V. (BE) | 1980-08-26 | — | — | US | disclosed |
| EP-0010661-A2 | Isoquinoline derivatives, process for their preparation, intermediates and pharmaceutical compositions containing them | F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) | 1980-05-14 | — | — | EP | disclosed |
| EP-0005318-A1 | N-Heterocyclyl-4-piperidinamines, methods for their preparation, pharmaceutical compositions comprising them, intermediates therefor, and method for the preparation of the intermediates | JANSSEN PHARMACEUTICA N.V. (BE) | 1979-11-14 | — | — | EP | disclosed |
| US-4031226-A | ANTIEMETIC, PSYCHOTROPIC | JANSSEN PHARMACEUTICA N.V. (BE) | 1977-06-21 | — | — | US | disclosed |