Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM5 | P41594 | 3/20 | 0.35 |
| ▸ | TTR | P02766 | 4/20 | 0.35 |
| ▸ | TLR2 | O60603 | 1/20 | 0.34 |
| ▸ | TLR1 | Q15399 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | MITF | O75030 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | ABCG2 | Q9UNQ0 | 2/20 | 0.33 |
| ▸ | CRHBP | P24387 | 1/20 | 0.32 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.32 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.32 |
| ▸ | ERN1 | O75460 | 1/20 | 0.32 |
| ▸ | ALKBH5 | Q6P6C2 | 1/20 | 0.32 |
| ▸ | EIF4E | P06730 | 1/20 | 0.32 |
| ▸ | MAOA | P21397 | 1/20 | 0.32 |
| ▸ | MAOB | P27338 | 1/20 | 0.32 |
| ▸ | SCD | O00767 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL3588388 | 0.85 | TTR (0.46) | GRM5TTRMEN1KMT2ASMN1; SMN2 | |
| SCHEMBL3584284 | 0.77 | TTR (0.39) | GRM5TTRMEN1KMT2AMAPT | |
| SCHEMBL3584380 | 0.73 | TTR (0.38) | GRM5TTRMEN1KMT2AMAPT | |
| SCHEMBL3591939 | 0.73 | MAPT (0.39) | GRM5TTRMEN1KMT2ASMN1; SMN2 | |
| SCHEMBL3587919 | 0.73 | TTR (0.42) | GRM5TTRMEN1KMT2AMAPT | |
| SCHEMBL1446572 | 0.70 | TTR (0.38) | GRM5TTRMEN1KMT2AMAPT | |
| SCHEMBL1447715 | 0.70 | TTR (0.44) | TTRMEN1KMT2AMAPTABCG2 | |
| SCHEMBL3594005 | 0.70 | TTR (0.39) | TTRMEN1KMT2AMAPTCRHBP | |
| SCHEMBL1447601 | 0.70 | TTR (0.37) | GRM5TTRMEN1KMT2AMAPT | |
| SCHEMBL1447024 | 0.70 | TTR (0.37) | GRM5TTRMEN1KMT2AMAPT |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2301934-A1 | Nitrocatechol derivatives as COMT inhibitors | BIAL - Portela & Ca., S.A. (PT) | 2011-03-30 | — | — | EP | disclosed |
| 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 |