Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | PKM | P14618 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | PTGES | O14684 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 3/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CTSV | O60911 | 3/20 | 0.33 |
| ▸ | CTSL | P07711 | 3/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | HTR1A | P08908 | 1/20 | 0.33 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.33 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.33 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.33 |
| ▸ | MYC | P01106 | 1/20 | 0.32 |
| ▸ | MAX | P61244 | 1/20 | 0.32 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | ELANE | P08246 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL4947748 | 0.85 | PTGES (0.38) | PTGESMAPTCTSVCTSLKDM4E | |
| SCHEMBL3877870 | 0.81 | SMN1; SMN2 (0.40) | SMN1; SMN2PKMHPGDPTGESMAPT | |
| SCHEMBL3877875 | 0.81 | SMN1; SMN2 (0.40) | SMN1; SMN2PKMHPGDPTGESMAPT | |
| SCHEMBL1447461 | 0.78 | PTGES (0.40) | SMN1; SMN2PKMHPGDPTGESMAPT | |
| SCHEMBL3586711 | 0.73 | PTGES (0.42) | PTGESMAPTALDH1A1CTSVCTSL | |
| SCHEMBL3586707 | 0.73 | PTGES (0.42) | PTGESMAPTALDH1A1CTSVCTSL | |
| SCHEMBL3586703 | 0.73 | PTGES (0.42) | PTGESMAPTALDH1A1CTSVCTSL | |
| SCHEMBL4948554 | 0.67 | EIF4E (0.38) | SMN1; SMN2MAPTKDM4EABCB1CYP19A1 | |
| SCHEMBL13257189 | 0.67 | LMNA (0.61) | SMN1; SMN2HPGDPTGESMAPTCTSV | |
| SCHEMBL1447206 | 0.67 | CTSV (0.55) | PTGESMAPTCTSVCTSLMEN1 |
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 |