Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 1/20 | 0.47 |
| ▸ | ALDH1A3 | P47895 | 2/20 | 0.44 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.41 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.41 |
| ▸ | BCL2A1 | Q16548 | 1/20 | 0.41 |
| ▸ | GRM5 | P41594 | 5/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.40 |
| ▸ | HTR1A | P08908 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | DRD2 | P14416 | 3/20 | 0.39 |
| ▸ | DRD4 | P21917 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL4610037 | 0.83 | AKR1C3 (0.49) | AKR1C3ALDH1A3NOTUMALDH3A1BCL2A1 | |
| SCHEMBL4013778 | 0.79 | HTR3E (0.46) | AKR1C3POLBDRD4MEN1ALDH1A1 | |
| SCHEMBL4749380 | 0.78 | ALDH1A1 (0.54) | SLC6A4HTR1AALDH1A1 | |
| SCHEMBL2124732 | 0.73 | CNR2 (0.49) | HTR1ADRD2DRD4ALDH1A1KMT2A | |
| SCHEMBL6309417 | 0.72 | ALDH1A1 (0.63) | AKR1C3ALDH1A3NOTUMPOLBMEN1 | |
| SCHEMBL4608750 | 0.71 | GRM5 (0.56) | GRM5SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL4608428 | 0.71 | SLC6A2 (0.46) | AKR1C3GRM5SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL25062055 | 0.71 | AKR1C3 (0.51) | AKR1C3NOTUMBCL2A1GRM5SLC6A2 | |
| SCHEMBL14922275 | 0.71 | POLB (0.71) | AKR1C3BCL2A1SLC6A2SLC6A4POLB | |
| SCHEMBL9279975 | 0.71 | LMNA (0.34) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1979320-A2 | PIPERAZINES AND PIPERIDINES AS mGluR5 POTENTIATORS | AstraZeneca AB (SE) | 2008-10-15 | — | — | EP | disclosed |
| WO-2007087135-A2 | PIPERAZINES AND PIPERIDINES AS mGluR5 POTENTIATORS | ASTRAZENECA AB (SE) | 2007-08-02 | — | — | WO | disclosed |