Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | GMNN | O75496 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | THPO | P40225 | 1/20 | 0.43 |
| ▸ | BLM | P54132 | 1/20 | 0.43 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | MGLL | Q99685 | 1/20 | 0.43 |
| ▸ | F2 | P00734 | 1/20 | 0.37 |
| ▸ | ELANE | P08246 | 1/20 | 0.37 |
| ▸ | CTSG | P08311 | 1/20 | 0.37 |
| ▸ | CTRC | Q99895 | 1/20 | 0.37 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.32 |
| ▸ | RGS4 | P49798 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | CASP1 | P29466 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL988699 | 0.83 | ALDH1A1 (0.46) | ALDH1A1GMNNLMNAMAPTTHPO | |
| SCHEMBL5203852 | 0.75 | ACHE (0.44) | ALDH1A1GMNNLMNAMAPTTHPO | |
| SCHEMBL3470129 | 0.74 | RGS4 (0.53) | ALDH1A1GMNNLMNAMAPTTHPO | |
| SCHEMBL357101 | 0.73 | ACHE (0.47) | ALDH1A1GMNNLMNAMAPTTHPO | |
| SCHEMBL20216186 | 0.71 | ALDH1A1 (0.48) | ALDH1A1GMNNLMNAMAPTTHPO | |
| SCHEMBL14136363 | 0.70 | ALDH1A1 (0.46) | ALDH1A1GMNNLMNAMAPTTHPO | |
| SCHEMBL1010796 | 0.70 | ALDH1A1 (0.46) | ALDH1A1GMNNLMNAMAPTTHPO | |
| SCHEMBL9732689 | 0.68 | ALDH1A1 (0.44) | ALDH1A1GMNNLMNAMAPTTHPO | |
| SCHEMBL4741750 | 0.68 | MGLL (0.44) | ALDH1A1GMNNLMNAMAPTTHPO | |
| SCHEMBL1535501 | 0.67 | RGS4 (0.58) | ALDH1A1GMNNLMNAMAPTTHPO |
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-2167083-A2 | NOVEL 1- HETEROARYL-3-AZABICYCLOÝ3.1.0¨HEXANES, METHODS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS | DOV Pharmaceutical, Inc. (US) | 2010-03-31 | — | — | EP | disclosed |
| WO-2008153937-A2 | NOVEL 1- HETEROARYL-3-AZABICYCLO[3.1.0]HEXANES, METHODS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS | DOV PHARMACEUTICAL, INC. (US) | 2008-12-18 | — | — | WO | disclosed |