Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TPMT | P51580 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | DBH | P09172 | 1/20 | 0.44 |
| ▸ | ABCB1 | P08183 | 3/20 | 0.42 |
| ▸ | ABCC1 | P33527 | 3/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | KRAS | P01116 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.40 |
| ▸ | TUBB | P07437 | 1/20 | 0.40 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.40 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.40 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.40 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.40 |
| ▸ | TUBB3 | Q13509 | 1/20 | 0.40 |
| ▸ | TUBB2A | Q13885 | 1/20 | 0.40 |
| ▸ | TUBB8 | Q3ZCM7 | 1/20 | 0.40 |
| ▸ | TUBA3E | Q6PEY2 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL1447266 | 1.00 | TPMT (0.46) | TPMTALDH1A1DBHABCB1ABCC1 | |
| SCHEMBL1446863 | 0.78 | MAPT (0.57) | TPMTALDH1A1DBHABCB1ABCC1 | |
| SCHEMBL1446864 | 0.78 | MAPT (0.57) | TPMTALDH1A1DBHABCB1ABCC1 | |
| SCHEMBL7368386 | 0.77 | TTR (0.58) | TPMTALDH1A1DBHABCB1ABCC1 | |
| SCHEMBL29493652 | 0.76 | TPMT (0.74) | TPMTALDH1A1DBHABCB1ABCC1 | |
| SCHEMBL7370467 | 0.76 | TPMT (0.56) | TPMTALDH1A1DBHABCB1ABCC1 | |
| SCHEMBL1447399 | 0.76 | TPMT (0.74) | TPMTALDH1A1DBHABCB1ABCC1 | |
| SCHEMBL1447168 | 0.75 | DBH (0.55) | TPMTALDH1A1DBHABCB1ABCC1 | |
| SCHEMBL7373096 | 0.75 | TSHR (0.59) | TPMTALDH1A1DBHABCB1ABCC1 | |
| SCHEMBL8462586 | 0.75 | TPMT (0.59) | TPMTALDH1A1DBHABCB1ABCC1 |
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 20 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 |
| US-9446012-B2 | Pharmaceutical compounds | BIAL—PORTELA & CA, S.A. (PT) | 2016-09-20 | — | — | US | disclosed |
| EP-2027091-B1 | NEW PHARMACEUTICAL COMPOUNDS | BIAL PORTELA & CA SA (PT) | 2016-01-06 | — | — | EP | 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-20140024682-A1 | PHARMACEUTICAL COMPOUNDS | BIAL - PORTELA & CA, S.A. (PT) | 2014-01-23 | — | — | US | disclosed |
| US-8536203-B2 | Pharmaceutical compounds | BIAL-PORTELA & CA, S.A. (PT) | 2013-09-17 | — | — | US | disclosed |
| EP-2617713-A1 | New Pharmaceutical Compounds | BIAL - Portela & Ca., S.A. (PT) | 2013-07-24 | — | — | EP | 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-20100168113-A1 | Pharmaceutical Compounds | BIAL-PORTELA & CA., S.A. (PT) | 2010-07-01 | — | — | US | disclosed |
| US-20090054437-A1 | Nitrocatechol Derivatives as Comt Inhibitors | PORTELA & CA., S.A. (PT) | 2009-02-26 | — | — | US | disclosed |
| EP-2027091-A1 | NEW PHARMACEUTICAL COMPOUNDS | BIAL - Portela & Ca., S.A. (PT) | 2009-02-25 | — | — | EP | disclosed |
| WO-2007117165-A1 | NEW PHARMACEUTICAL COMPOUNDS | BIAL - PORTELA & CA, S.A. (PT) | 2007-10-18 | — | — | 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 (9 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 | TPMT 164/4885ALDH1A1 139/4885DBH 41/4885 |
| US-20150072977-A1 | NITROCATECHOL DERIVATIVES AS COMT INHIBITORS | COMT, PNMT, OPRK1 | TPMT 164/4885ALDH1A1 139/4885DBH 41/4885 |
| US-20220388999-A1 | NITROCATECHOL DERIVATIVES AS COMT INHIBITORS | COMT, PNMT, OPRK1 | TPMT 138/4885ALDH1A1 137/4885DBH 35/4885 |
| US-20090054437-A1 | Nitrocatechol Derivatives as Comt Inhibitors | COMT, PNMT, OPRK1 | TPMT 164/4885ALDH1A1 139/4885DBH 41/4885 |
| US-20100168113-A1 | Pharmaceutical Compounds | PMP22, CNR2, OPRL1 | TPMT 703/4885ALDH1A1 1070/4885DBH 247/4885 |
| US-20140024682-A1 | PHARMACEUTICAL COMPOUNDS | PMP22, CNR2, OPRL1 | TPMT 703/4885ALDH1A1 1070/4885DBH 247/4885 |
| US-10336740-B2 | Nitrocatechol derivatives as COMT inhibitors | COMT, PNMT, OPRK1 | TPMT 164/4885ALDH1A1 139/4885DBH 41/4885 |
| US-20200102295-A1 | NITROCATECHOL DERIVATIVES AS COMT INHIBITORS | COMT, PNMT, OPRK1 | TPMT 138/4885ALDH1A1 137/4885DBH 35/4885 |
| US-20120196904-A1 | NITROCATECHOL DERIVATIVES AS COMT INHIBITORS | COMT, PNMT, OPRK1 | TPMT 164/4885ALDH1A1 139/4885DBH 41/4885 |
“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.