Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AGPAT2 | O15120 | 9/20 | 0.52 |
| ▸ | IDO1 | P14902 | 1/20 | 0.45 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.45 |
| ▸ | JAK2 | O60674 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.41 |
| ▸ | HSP90AB1 | P08238 | 2/20 | 0.41 |
| ▸ | DHFR | P00374 | 1/20 | 0.39 |
| ▸ | RAD52 | P43351 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL10389399 | 0.77 | PIM1 (0.44) | HSP90AA1HSP90AB1DHFR | |
| SCHEMBL4282884 | 0.74 | AGPAT2 (0.67) | AGPAT2IDO1JAK2HSP90AA1HSP90AB1 | |
| SCHEMBL30401681 | 0.73 | AGPAT2 (0.41) | AGPAT2IDO1MAP4K4JAK2CYP3A4 | |
| SCHEMBL510241 | 0.73 | DHFR (0.43) | HSP90AA1HSP90AB1DHFRRAD52ALDH1A1 | |
| SCHEMBL25373340 | 0.73 | AGPAT2 (0.41) | AGPAT2IDO1MAP4K4JAK2CYP3A4 | |
| SCHEMBL509116 | 0.72 | DHFR (0.46) | HSP90AA1DHFRRAD52ALDH1A1 | |
| SCHEMBL3825646 | 0.71 | IDO1 (0.51) | AGPAT2IDO1MAP4K4JAK2 | |
| SCHEMBL15757153 | 0.71 | AGPAT2 (0.74) | AGPAT2JAK2CYP3A4HSP90AA1HSP90AB1 | |
| SCHEMBL4277914 | 0.70 | AGPAT2 (0.50) | AGPAT2IDO1MAP4K4JAK2CYP3A4 | |
| SCHEMBL11377936 | 0.69 | DHFR (0.49) | HSP90AA1DHFRALDH1A1 |
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-8314123-B2 | 5, 6, or 7-substituted -3-(hetero) arylisoquinolinamine derivatives and therapeutic use thereof | REXAHN PHARMACEUTICALS, INC. (US) | 2012-11-20 | — | — | US | disclosed |
| EP-2099765-B1 | 5, 6, OR 7-SUBSTITUTED-3-ARYLISOQUINOLINAMINE DERIVATIVES AS ANTITUMOR AGENTS | REXAHN PHARMACEUTICALS INC (US) | 2012-08-29 | — | — | EP | disclosed |
| EP-2423196-A1 | 5, 6 or 7-substituted-3-phenylisoquinolinamine derivatives and therapeutic use thereof | Rexahn Pharmaceuticals, Inc. (US) | 2012-02-29 | — | — | EP | disclosed |
| US-20120029012-A1 | 5, 6, or 7-SUBSTITUTED -3-(HETERO) ARYLISOQUINOLINAMINE DERIVATIVES AND THERAPEUTIC USE THEREOF | REXAHN PHARMACEUTICALS, INC. (US) | 2012-02-02 | — | — | US | disclosed |
| US-8034829-B2 | e.g. 3-(3-methoxyphenyl)isoquinolin-1-amine; antiproliferative and antigrowth agent; breast tumors, prostate tumors, colon tumors, ovary tumors, kidney tumors, pancreas tumors, glioblastoma and melanoma. | REXAHN PHARMACEUTICALS, INC. (US) | 2011-10-11 | — | — | US | disclosed |
| US-20080182871-A1 | 5, 6, or 7-Substituted - 3-(hetero) arylisoquinolinamine derivatives and therapeutic use thereof | REXAHN PHARMACEUTICALS, INC. (US) | 2008-07-31 | — | — | 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 (2 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-20080182871-A1 | 5, 6, or 7-Substituted - 3-(hetero) arylisoquinolinamine derivatives and therapeutic use thereof | FANCD2, NRAS, CCND2 | AGPAT2 3591/4885IDO1 653/4885MAP4K4 1427/4885 |
| US-20120029012-A1 | 5, 6, or 7-SUBSTITUTED -3-(HETERO) ARYLISOQUINOLINAMINE DERIVATIVES AND THERAPEUTIC USE THEREOF | FANCD2, NRAS, CCND2 | AGPAT2 3591/4885IDO1 653/4885MAP4K4 1427/4885 |
“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.