Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 13/20 | 1.00 |
| ▸ | CCNB2 | O95067 | 2/20 | 0.52 |
| ▸ | CDK1 | P06493 | 2/20 | 0.52 |
| ▸ | CCNB1 | P14635 | 2/20 | 0.52 |
| ▸ | GSK3B | P49841 | 2/20 | 0.52 |
| ▸ | CDK5 | Q00535 | 2/20 | 0.52 |
| ▸ | CDK5R1 | Q15078 | 2/20 | 0.52 |
| ▸ | CCNB3 | Q8WWL7 | 2/20 | 0.52 |
| ▸ | CDC7 | O00311 | 1/20 | 0.52 |
| ▸ | PLK4 | O00444 | 1/20 | 0.52 |
| ▸ | IKBKB | O14920 | 1/20 | 0.52 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.52 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.52 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.52 |
| ▸ | PAK4 | O96013 | 1/20 | 0.52 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.52 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.52 |
| ▸ | ABL1 | P00519 | 1/20 | 0.52 |
| ▸ | CSF1R | P07333 | 1/20 | 0.52 |
| ▸ | LYN | P07948 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL4661629 | 0.92 | PARP1 (1.00) | PARP1CCNB2CDK1CCNB1GSK3B | |
| SCHEMBL8273132 | 0.86 | PARP1 (0.76) | PARP1CCNB2CDK1CCNB1GSK3B | |
| SCHEMBL4078284 | 0.80 | PARP1 (1.00) | PARP1CCNB2CDK1CCNB1GSK3B | |
| SCHEMBL13376139 | 0.79 | PARP1 (0.72) | PARP1CA1CA2CA4CA6 | |
| SCHEMBL14079321 | 0.79 | PARP1 (0.72) | PARP1CCNB2CDK1CCNB1GSK3B | |
| SCHEMBL2763222 | 0.77 | PARP1 (0.70) | PARP1CCNB2CDK1CCNB1GSK3B | |
| SCHEMBL2763098 | 0.77 | PARP1 (0.77) | PARP1CA1CA2CA4CA6 | |
| SCHEMBL13377702 | 0.77 | PARP1 (0.77) | PARP1CA1CA2CA4CA6 | |
| SCHEMBL29496073 | 0.77 | PARP1 (0.77) | PARP1CA1CA2CA4CA6 | |
| SCHEMBL13377548 | 0.77 | PARP1 (0.77) | PARP1CA1CA2CA4CA6 |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2033645-A1 | Isoquinoline derivatives and methods of use thereof | Inotek Pharmaceuticals Corporation (US) | 2009-03-11 | — | — | EP | disclosed |
| EP-1722797-A4 | ISOQUINOLINE DERIVATIVES AND METHODS OF USE THEREOF | INOTEK PHARMACEUTICALS CORP (US) | 2008-03-19 | — | — | EP | disclosed |
| EP-1850848-A4 | TETRACYCLIC SULFONAMIDE COMPOUNDS AND METHODS OF USE THEREOF | INOTEK PHARMACEUTICALS CORP (US) | 2008-02-20 | — | — | EP | disclosed |
| EP-1850848-A1 | TETRACYCLIC SULFONAMIDE COMPOUNDS AND METHODS OF USE THEREOF | Inotek Pharmaceuticals Corporation (US) | 2007-11-07 | — | — | EP | disclosed |
| US-20060287313-A1 | Isoquinoline compounds and methods of use thereof | INOTEK PHARMACEUTICALS CORPORATION (US) | 2006-12-21 | — | — | US | disclosed |
| US-20060287311-A1 | Tetracyclic Sulfonamide Compounds and methods of use thereof | INOTEK PHARMACEUTICALS CORPORATION (US) | 2006-12-21 | — | — | US | disclosed |
| EP-1722797-A1 | ISOQUINOLINE DERIVATIVES AND METHODS OF USE THEREOF | Inotek Pharmaceuticals Corporation (US) | 2006-11-22 | — | — | EP | disclosed |
| WO-2006093677-A1 | TETRACYCLIC SULFONAMIDE COMPOUNDS AND METHODS OF USE THEREOF | INOTEK PHARMACEUTICALS CORPORATION (US) | 2006-09-08 | — | — | WO | disclosed |
| US-20060019980-A1 | Methods for treating or preventing erectile dysfunction or urinary incontinence | INOTEK PHARMACEUTICAL, CORP. (US) | 2006-01-26 | — | — | US | disclosed |
| US-20050228007-A1 | Isoquinoline derivatives and methods of use thereof | INOTEK PHARMACEUTICALS CORPORATION | 2005-10-13 | — | — | US | disclosed |
| WO-2005082368-A1 | ISOQUINOLINE DERIVATIVES AND METHODS OF USE THEREOF | INOTEK PHARMACEUTICALS CORPORATION (US) | 2005-09-09 | — | — | 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 (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-20050228007-A1 | Isoquinoline derivatives and methods of use thereof | GLS, PINK1, PARK7 | PARP1 327/4885CCNB2 3422/4885CDK1 2089/4885 |
| US-20060019980-A1 | Methods for treating or preventing erectile dysfunction or urinary incontinence | PDE3A, PDE3B, PDE5A | PARP1 1715/4885CCNB2 4440/4885CDK1 4464/4885 |
| US-20060287313-A1 | Isoquinoline compounds and methods of use thereof | GLS, PINK1, PARK7 | PARP1 256/4885CCNB2 3289/4885CDK1 1748/4885 |
| US-20060287311-A1 | Tetracyclic Sulfonamide Compounds and methods of use thereof | TST, SNCA, TXNRD2 | PARP1 1750/4885CCNB2 2834/4885CDK1 2598/4885 |
“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.