Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | COMT | P21964 | 2/20 | 0.53 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | GPR35 | Q9HC97 | 3/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 3/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | TTR | P02766 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | RECQL | P46063 | 1/20 | 0.34 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL1447032 | 0.91 | COMT (0.66) | COMTTHRBGPR35LMNAGAA | |
| SCHEMBL1446757 | 0.88 | COMT (0.63) | COMTTHRBGPR35LMNASMN1; SMN2 | |
| SCHEMBL1447117 | 0.85 | COMT (0.69) | COMTGPR35GAATTRMAPT | |
| SCHEMBL1446948 | 0.84 | COMT (0.64) | COMTGAAMAPTMAPK1POLB | |
| SCHEMBL1446344 | 0.83 | COMT (0.51) | COMTGPR35MEN1KMT2AALDH1A1 | |
| SCHEMBL1446993 | 0.81 | COMT (0.46) | COMTGPR35MEN1KMT2AALDH1A1 | |
| SCHEMBL3576676 | 0.81 | COMT (0.48) | COMTTHRBGPR35LMNAGAA | |
| SCHEMBL1447023 | 0.80 | COMT (0.74) | COMTTHRBGPR35LMNASMN1; SMN2 | |
| SCHEMBL1446724 | 0.80 | COMT (0.52) | COMTGPR35MEN1KMT2AALDH1A1 | |
| SCHEMBL1448013 | 0.79 | COMT (0.46) | COMTTHRBGPR35LMNAGAA |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20220388999-A1 | NITROCATECHOL DERIVATIVES AS COMT INHIBITORS | BIAL PORTELA & CA SA (PT) | 2022-12-08 | — | — | US | disclosed |
| US-20200102295-A1 | NITROCATECHOL DERIVATIVES AS COMT INHIBITORS | BIAL - PORTELA & CA, S.A. (PT) | 2020-04-02 | — | — | US | disclosed |
| US-10336740-B2 | Nitrocatechol derivatives as COMT inhibitors | BIAL—PORTELA & CA, S.A. (PT) | 2019-07-02 | — | — | US | disclosed |
| US-20170362213-A1 | NITROCATECHOL DERIVATIVES AS COMT INHIBITORS | PORTELA & COMPANHIA, S.A. (PT) | 2017-12-21 | — | — | US | disclosed |
| US-9550759-B2 | Nitrocatechol derivatives as COMT inhibitors | BIAL—PORTELA & CA, S.A. (PT) | 2017-01-24 | — | — | US | disclosed |
| EP-1907382-B1 | NITROCATECHOL DERIVATIVES AS COMT INHIBITORS | BIAL PORTELA & CA SA (PT) | 2015-05-27 | — | — | EP | disclosed |
| US-20150072977-A1 | NITROCATECHOL DERIVATIVES AS COMT INHIBITORS | BIAL - PORTELA & CA, S.A. (PT) | 2015-03-12 | — | — | US | disclosed |
| US-8907099-B2 | Nitrocatechol derivatives as COMT inhibitors | BIAL-PORTELA & CA, S.A. (PT) | 2014-12-09 | — | — | US | disclosed |
| US-20120196904-A1 | NITROCATECHOL DERIVATIVES AS COMT INHIBITORS | PORTELA & CA., S.A. (PT) | 2012-08-02 | — | — | US | disclosed |
| US-8168793-B2 | Nitrocatechol derivatives as COMT inhibitors | PORTELA & CA., S.A. (PT) | 2012-05-01 | — | — | US | disclosed |
| EP-2301934-A1 | Nitrocatechol derivatives as COMT inhibitors | BIAL - Portela & Ca., S.A. (PT) | 2011-03-30 | — | — | EP | disclosed |
| US-20090054437-A1 | Nitrocatechol Derivatives as Comt Inhibitors | PORTELA & CA., S.A. (PT) | 2009-02-26 | — | — | US | 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 |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (7 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20170362213-A1 | NITROCATECHOL DERIVATIVES AS COMT INHIBITORS | COMT, PNMT, OPRK1 | COMT 1/4885THRB 1444/4885GPR35 865/4885 |
| US-20150072977-A1 | NITROCATECHOL DERIVATIVES AS COMT INHIBITORS | COMT, PNMT, OPRK1 | COMT 1/4885THRB 1444/4885GPR35 865/4885 |
| US-20220388999-A1 | NITROCATECHOL DERIVATIVES AS COMT INHIBITORS | COMT, PNMT, OPRK1 | COMT 1/4885THRB 1358/4885GPR35 831/4885 |
| US-20090054437-A1 | Nitrocatechol Derivatives as Comt Inhibitors | COMT, PNMT, OPRK1 | COMT 1/4885THRB 1444/4885GPR35 865/4885 |
| US-10336740-B2 | Nitrocatechol derivatives as COMT inhibitors | COMT, PNMT, OPRK1 | COMT 1/4885THRB 1444/4885GPR35 865/4885 |
| US-20200102295-A1 | NITROCATECHOL DERIVATIVES AS COMT INHIBITORS | COMT, PNMT, OPRK1 | COMT 1/4885THRB 1358/4885GPR35 831/4885 |
| US-20120196904-A1 | NITROCATECHOL DERIVATIVES AS COMT INHIBITORS | COMT, PNMT, OPRK1 | COMT 1/4885THRB 1444/4885GPR35 865/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.