Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR7 | P34969 | 6/20 | 0.64 |
| ▸ | DRD2 | P14416 | 1/20 | 0.52 |
| ▸ | DRD4 | P21917 | 1/20 | 0.52 |
| ▸ | DRD3 | P35462 | 1/20 | 0.52 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.51 |
| ▸ | FFAR1 | O14842 | 4/20 | 0.51 |
| ▸ | CASR | P41180 | 1/20 | 0.50 |
| ▸ | PTPRC | P08575 | 1/20 | 0.49 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.49 |
| ▸ | ERN1 | O75460 | 2/20 | 0.48 |
| ▸ | FYN | P06241 | 1/20 | 0.43 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.43 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL3786457 | 0.82 | HTR7 (0.45) | HTR7DRD2DRD4DRD3FFAR1 | |
| SCHEMBL12806502 | 0.82 | HTR7 (0.69) | HTR7DRD2DRD4DRD3PTPN5 | |
| SCHEMBL19043338 | 0.82 | SLC13A5 (0.49) | HTR7DRD2DRD4DRD3PTPRC | |
| SCHEMBL7504815 | 0.81 | HTR7 (0.68) | HTR7DRD2DRD4DRD3PTPN5 | |
| SCHEMBL5992125 | 0.81 | HTR7 (0.68) | HTR7DRD2DRD4DRD3PTPN5 | |
| SCHEMBL13434073 | 0.81 | HTR7 (0.68) | HTR7DRD2DRD4DRD3PTPN5 | |
| SCHEMBL2934073 | 0.81 | HTR7 (0.72) | HTR7DRD2DRD4DRD3PTPN5 | |
| SCHEMBL4038548 | 0.81 | FFAR1 (0.53) | FFAR1CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL3794909 | 0.80 | PDE4D (0.48) | HTR7PTPN5FFAR1CASRERN1 | |
| SCHEMBL12881923 | 0.79 | HTR7 (0.71) | HTR7DRD2DRD4DRD3PTPN5 |
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-2782570-B1 | HETEROCYCLIC INHIBITORS OF GLUTAMINASE | CALITHERA BIOSCIENCES INC (US) | 2019-09-18 | — | — | EP | disclosed |
| WO-2018039442-A1 | TREATMENT OF CANCER WITH INHIBITORS OF GLUTAMINASE | CALITHERA BIOSCIENCES, INC. (US) | 2018-03-01 | — | — | WO | disclosed |