Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN1 | P18031 | 3/20 | 0.54 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.52 |
| ▸ | HTR2A | P28223 | 1/20 | 0.52 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.52 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.52 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.52 |
| ▸ | MAOB | P27338 | 5/20 | 0.51 |
| ▸ | MAOA | P21397 | 2/20 | 0.51 |
| ▸ | FFAR1 | O14842 | 3/20 | 0.49 |
| ▸ | IDO1 | P14902 | 2/20 | 0.49 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL3038004 | 0.85 | RAB9A (0.63) | PTPN1S1PR1HTR2AKCNH2SIGMAR1 | |
| SCHEMBL11118881 | 0.82 | MRGPRX4 (0.59) | PTPN1S1PR1HTR2AKCNH2SIGMAR1 | |
| SCHEMBL5512534 | 0.81 | IDO1 (0.53) | PTPN1S1PR1HTR2AKCNH2SIGMAR1 | |
| SCHEMBL28115794 | 0.81 | MAOB (0.69) | S1PR1S1PR5MAOBMAOA | |
| SCHEMBL539627 | 0.80 | S1PR1 (0.53) | PTPN1S1PR1HTR2AKCNH2SIGMAR1 | |
| SCHEMBL1780435 | 0.80 | IDO1 (0.54) | SIGMAR1IDO1NPC1ALDH1A1RAB9A | |
| SCHEMBL1508320 | 0.80 | CYP2D6 (0.53) | PTPN1S1PR1HTR2AKCNH2SIGMAR1 | |
| SCHEMBL12584867 | 0.79 | MAOB (0.54) | PTPN1S1PR1HTR2AKCNH2SIGMAR1 | |
| SCHEMBL1508212 | 0.79 | APP (0.56) | PTPN1S1PR1HTR2AKCNH2SIGMAR1 | |
| SCHEMBL508773 | 0.79 | S1PR1 (0.55) | PTPN1S1PR1HTR2AKCNH2SIGMAR1 |
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-2046308-A2 | RETINOIDS AND SMALL MOLECULES AS NRF2 ANTAGONISTS FOR USE IN THE TREATMENT OF DISEASES ASSOCIATED WITH ABNORMAL CELL PROLIFERATION | The University Court of the University of Dundee (GB) | 2009-04-15 | — | — | EP | disclosed |
| WO-2008012534-A2 | RETINOIDS AND SMALL MOLECULES AS NRF2 ANTAGONISTS FOR USE IN THE TREATMENT OF DISEASES ASSOCIATED WITH ABNORMAL CELL PROLIFERATION | THE UNIVERSITY COURT OF THE UNIVERSITY OF DUNDEE (GB) | 2008-01-31 | — | — | WO | disclosed |