Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL11956563 | 0.77 | TSHR (0.39) | TSHRKDM4E | |
| SCHEMBL21963307 | 0.66 | TSHR (0.35) | TSHRALDH1A1CYP3A4KDM4EMAPT | |
| SCHEMBL898962 | 0.66 | TSHR (0.52) | TSHRALDH1A1TP53KDM4EMAPT | |
| SCHEMBL11956561 | 0.65 | KDM4E (0.38) | TSHRALDH1A1KDM4EMAPT | |
| SCHEMBL1744844 | 0.63 | TSHR (0.34) | TSHR | |
| SCHEMBL146892 | 0.63 | ALDH1A1 (0.58) | TSHRALDH1A1CYP3A4TP53TDP1 | |
| SCHEMBL4759036 | 0.61 | TSHR (0.33) | TSHR | |
| SCHEMBL317223 | 0.61 | TSHR (0.33) | TSHR | |
| SCHEMBL11325482 | 0.61 | TSHR (0.41) | TSHRALDH1A1KDM4EMAPT | |
| SCHEMBL31401372 | 0.61 | — | — |
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-B1 | NITROCATECHOL DERIVATIVES AS COMT INHIBITORS | BIAL PORTELA & CA SA (PT) | 2015-05-27 | — | — | EP | disclosed |
| WO-2007013830-A1 | NITROCATECHOL DERIVATIVES AS COMT INHIBITORS | PORTELA & CA. S.A. (PT) | 2007-02-01 | — | — | WO | disclosed |