Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 9/20 | 0.40 |
| ▸ | NPC1 | O15118 | 6/20 | 0.40 |
| ▸ | NTSR1 | P30989 | 2/20 | 0.40 |
| ▸ | HTT | P42858 | 5/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.38 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.35 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.35 |
| ▸ | SLC22A3 | O75751 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.35 |
| ▸ | TACR1 | P25103 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | UHRF1 | Q96T88 | 1/20 | 0.35 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 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 | |
|---|---|---|---|---|
| SCHEMBL2955400 | 0.83 | ACHE (0.35) | KDM4EALDH1A1KMT2A | |
| SCHEMBL6756098 | 0.79 | RAB9A (0.46) | RAB9ANPC1NTSR1HTTKDM4E | |
| SCHEMBL24775380 | 0.76 | KDM4E (0.43) | RAB9ANPC1NTSR1HTTKDM4E | |
| SCHEMBL8249472 | 0.76 | MAOA (0.43) | RAB9ANPC1NTSR1HTTKDM4E | |
| SCHEMBL11150322 | 0.75 | ACHE (0.48) | RAB9ANPC1SMN1; SMN2ALDH1A1KMT2A | |
| SCHEMBL11956549 | 0.74 | P2RY14 (0.33) | KDM4ESMN1; SMN2ALDH1A1KMT2AMAPK1 | |
| Benzene SCHEMBL28650858 | 0.73 | HTT (0.33) | RAB9ANPC1NTSR1HTTKDM4E | |
| SCHEMBL316983 | 0.72 | HTT (0.44) | RAB9ANPC1NTSR1HTTKDM4E | |
| SCHEMBL31088294 | 0.72 | HTT (0.44) | RAB9ANPC1NTSR1HTTKDM4E | |
| SCHEMBL18000465 | 0.69 | SLC22A2 (0.46) | RAB9ANPC1HTTKDM4ESMN1; SMN2 |
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 6 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-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-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 |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (4 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 | RAB9A 2248/4885NPC1 470/4885NTSR1 219/4885 |
| US-20150072977-A1 | NITROCATECHOL DERIVATIVES AS COMT INHIBITORS | COMT, PNMT, OPRK1 | RAB9A 2248/4885NPC1 470/4885NTSR1 219/4885 |
| US-20220388999-A1 | NITROCATECHOL DERIVATIVES AS COMT INHIBITORS | COMT, PNMT, OPRK1 | RAB9A 2264/4885NPC1 504/4885NTSR1 178/4885 |
| US-20120196904-A1 | NITROCATECHOL DERIVATIVES AS COMT INHIBITORS | COMT, PNMT, OPRK1 | RAB9A 2248/4885NPC1 470/4885NTSR1 219/4885 |
“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.