Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCC1 | P33527 | 8/20 | 0.40 |
| ▸ | ABCB1 | P08183 | 7/20 | 0.40 |
| ▸ | CRHBP | P24387 | 1/20 | 0.40 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.40 |
| ▸ | ERN1 | O75460 | 2/20 | 0.39 |
| ▸ | TTR | P02766 | 1/20 | 0.38 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.38 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.37 |
| ▸ | CSNK2B | P67870 | 1/20 | 0.37 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | EGFR | P00533 | 1/20 | 0.36 |
| ▸ | JUN | P05412 | 1/20 | 0.36 |
| ▸ | GRK6 | P43250 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL1447584 | 0.86 | CRHBP (0.47) | ABCC1ABCB1CRHBPCRHR2ERN1 | |
| SCHEMBL3579413 | 0.76 | SMN1; SMN2 (0.42) | ABCC1ABCB1CRHBPCRHR2ERN1 | |
| SCHEMBL4947992 | 0.72 | ALOX5 (0.41) | ABCC1ABCB1CRHBPCRHR2ERN1 | |
| SCHEMBL1446958 | 0.69 | CRHBP (0.47) | ABCC1ABCB1CRHBPCRHR2ERN1 | |
| SCHEMBL1446727 | 0.65 | CRHBP (0.47) | ABCC1CRHBPCRHR2ERN1TTR | |
| SCHEMBL7024419 | 0.64 | GPR35 (0.72) | ERN1TTRMEN1ALDH1A1KMT2A | |
| SCHEMBL20022338 | 0.64 | TTR (0.66) | ABCC1ABCB1ERN1TTRMEN1 | |
| SCHEMBL1447404 | 0.63 | TTR (0.52) | ABCC1ABCB1TTRMEN1ALDH1A1 | |
| SCHEMBL23751958 | 0.63 | TTR (0.61) | ERN1TTRALOX5MEN1ALDH1A1 | |
| SCHEMBL645594 | 0.63 | ALDH1A1 (0.67) | CRHBPCRHR2ERN1MEN1ALDH1A1 |
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 12 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 |
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 | ABCC1 1141/4885ABCB1 54/4885CRHBP 1863/4885 |
| US-20150072977-A1 | NITROCATECHOL DERIVATIVES AS COMT INHIBITORS | COMT, PNMT, OPRK1 | ABCC1 1141/4885ABCB1 54/4885CRHBP 1863/4885 |
| US-20220388999-A1 | NITROCATECHOL DERIVATIVES AS COMT INHIBITORS | COMT, PNMT, OPRK1 | ABCC1 1083/4885ABCB1 54/4885CRHBP 1626/4885 |
| US-20090054437-A1 | Nitrocatechol Derivatives as Comt Inhibitors | COMT, PNMT, OPRK1 | ABCC1 1141/4885ABCB1 54/4885CRHBP 1863/4885 |
| US-10336740-B2 | Nitrocatechol derivatives as COMT inhibitors | COMT, PNMT, OPRK1 | ABCC1 1141/4885ABCB1 54/4885CRHBP 1863/4885 |
| US-20200102295-A1 | NITROCATECHOL DERIVATIVES AS COMT INHIBITORS | COMT, PNMT, OPRK1 | ABCC1 1083/4885ABCB1 54/4885CRHBP 1626/4885 |
| US-20120196904-A1 | NITROCATECHOL DERIVATIVES AS COMT INHIBITORS | COMT, PNMT, OPRK1 | ABCC1 1141/4885ABCB1 54/4885CRHBP 1863/4885 |
“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.