Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.34 |
| ▸ | PTPN1 | P18031 | 4/20 | 0.33 |
| ▸ | PTPN6 | P29350 | 3/20 | 0.33 |
| ▸ | PTPN2 | P17706 | 2/20 | 0.33 |
| ▸ | GRM5 | P41594 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | CTSV | O60911 | 2/20 | 0.31 |
| ▸ | CTSL | P07711 | 2/20 | 0.31 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.31 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.31 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.31 |
| ▸ | HTR1A | P08908 | 1/20 | 0.31 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.31 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.31 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.31 |
| ▸ | PTGES | O14684 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL3592541 | 0.80 | POLB (0.39) | POLBPTPN1PTPN6PTPN2GRM5 | |
| SCHEMBL1447746 | 0.78 | PTPN1 (0.37) | POLBABCB1PTPN1PTPN6PTPN2 | |
| SCHEMBL1447254 | 0.68 | MRGPRX4 (0.44) | CYP19A1CYP11B1CYP11B2 | |
| SCHEMBL1447240 | 0.66 | POLB (0.46) | POLBNPC1MAPTRAB9A | |
| SCHEMBL27717189 | 0.65 | MAPT (0.48) | PTPN1PTPN6PTPN2NPC1MAPT | |
| SCHEMBL1447215 | 0.65 | POLB (0.43) | POLBNPC1MAPTRAB9A | |
| SCHEMBL1447293 | 0.65 | POLB (0.49) | POLBNPC1MAPTRAB9AHTR1A | |
| SCHEMBL4948554 | 0.64 | EIF4E (0.38) | POLBABCB1NPC1MAPTRAB9A | |
| SCHEMBL3581595 | 0.64 | POLB (0.47) | POLBNPC1MAPTRAB9A | |
| SCHEMBL8077523 | 0.63 | CYP19A1 (0.55) | POLBMAPTCTSVCTSLCYP19A1 |
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-1907382-A1 | NITROCATECHOL DERIVATIVES AS COMT INHIBITORS | Portela & C.A. S.A (PT) | 2008-04-09 | — | — | EP | disclosed |
| WO-2007013830-A1 | NITROCATECHOL DERIVATIVES AS COMT INHIBITORS | PORTELA & CA. S.A. (PT) | 2007-02-01 | — | — | WO | disclosed |