Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGES | O14684 | 1/20 | 0.38 |
| ▸ | CTSV | O60911 | 4/20 | 0.37 |
| ▸ | CTSL | P07711 | 4/20 | 0.37 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | MYC | P01106 | 1/20 | 0.34 |
| ▸ | MAX | P61244 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.33 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.33 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.33 |
| ▸ | PTPN6 | P29350 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL4942728 | 0.85 | SMN1; SMN2 (0.37) | PTGESCTSVCTSLABCB1MAPT | |
| SCHEMBL3587958 | 0.77 | PPIA (0.41) | PTGESCTSVCTSLMAPTMEN1 | |
| SCHEMBL4948554 | 0.74 | EIF4E (0.38) | ABCB1MAPTPOLBPIN1CYP19A1 | |
| SCHEMBL1446822 | 0.74 | PTGES (0.48) | PTGESCTSVCTSLABCB1MAPT | |
| SCHEMBL1446833 | 0.73 | PTGES (0.41) | PTGESCTSVCTSLABCB1MAPT | |
| SCHEMBL1447206 | 0.73 | CTSV (0.55) | PTGESCTSVCTSLABCB1MAPT | |
| SCHEMBL13257189 | 0.70 | LMNA (0.61) | PTGESCTSVCTSLABCB1MAPT | |
| SCHEMBL4950971 | 0.67 | NPC1 (0.51) | ABCB1MEN1KMT2AKDM4E | |
| SCHEMBL3586707 | 0.67 | PTGES (0.42) | PTGESCTSVCTSLMAPTMEN1 | |
| SCHEMBL3586711 | 0.67 | PTGES (0.42) | PTGESCTSVCTSLMAPTMEN1 |
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 |