Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.53 |
| ▸ | LOXL2 | Q9Y4K0 | 2/20 | 0.52 |
| ▸ | CYP19A1 | P11511 | 6/20 | 0.50 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.50 |
| ▸ | SAE1 | Q9UBE0 | 1/20 | 0.50 |
| ▸ | UBA2 | Q9UBT2 | 1/20 | 0.50 |
| ▸ | CYP11B1 | P15538 | 5/20 | 0.49 |
| ▸ | CYP11B2 | P19099 | 5/20 | 0.49 |
| ▸ | CYP17A1 | P05093 | 2/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.48 |
| ▸ | GSK3A | P49840 | 2/20 | 0.46 |
| ▸ | GSK3B | P49841 | 2/20 | 0.46 |
| ▸ | POLB | P06746 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL1344068 | 0.86 | LOXL2 (0.65) | HRH3LOXL2CYP19A1CYP2A6SAE1 | |
| SCHEMBL13873567 | 0.81 | CYP17A1 (0.65) | HRH3LOXL2CYP19A1CYP11B1CYP11B2 | |
| SCHEMBL16848648 | 0.79 | LOXL2 (0.58) | HRH3LOXL2CYP19A1CYP2A6SAE1 | |
| SCHEMBL14155434 | 0.79 | LOXL2 (0.58) | HRH3LOXL2CYP19A1CYP2A6SAE1 | |
| SCHEMBL171226 | 0.79 | HRH3 (0.56) | HRH3CYP19A1CYP11B1CYP11B2CYP17A1 | |
| SCHEMBL1507736 | 0.79 | CYP11B2 (0.56) | HRH3CYP19A1CYP11B1CYP11B2KDM4E | |
| Isonicotinonitrile SCHEMBL2015834 | 0.78 | HDAC8 (0.52) | LOXL2CYP19A1CYP2A6CYP11B1CYP11B2 | |
| Isonicotinonitrile SCHEMBL12264099 | 0.78 | — | — | |
| Isonicotinonitrile SCHEMBL151611 | 0.78 | — | — | |
| SCHEMBL721736 | 0.78 | CYP17A1 (0.61) | HRH3LOXL2CYP19A1CYP11B1CYP11B2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2426122-A1 | Methylene urea derivative as RAF kinasse inhibitors | Merck Patent GmbH (DE) | 2012-03-07 | — | — | EP | disclosed |
| EP-0504574-B1 | 1,2,4-Oxadiazole derivatives having monoamine oxidase B enzyme-inhibitory activity and method for preparing same | WAKAMOTO PHARMA CO LTD (JP) | 1996-02-28 | — | — | EP | disclosed |
| US-5356916-A | Treating Parkinson*s disease | WAKAMOTO PHARMACEUTICAL CO., LTD. (JP) | 1994-10-18 | — | — | US | disclosed |
| EP-0504574-A1 | 1,2,4-Oxadiazole derivatives having monoamine oxidase B enzyme-inhibitory activity and method for preparing same | Wakamoto Pharmaceutical Co., Ltd. (JP) | 1992-09-23 | — | — | EP | disclosed |