Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | APP | P05067 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | ATM | Q13315 | 1/20 | 0.50 |
| ▸ | CYP11B1 | P15538 | 4/20 | 0.48 |
| ▸ | CYP11B2 | P19099 | 4/20 | 0.48 |
| ▸ | LTA4H | P09960 | 1/20 | 0.47 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.45 |
| ▸ | NCF1 | P14598 | 1/20 | 0.45 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.43 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.43 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.43 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.43 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.42 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL29532060 | 1.00 | APP (0.50) | APPALDH1A1CYP2D6ATMCYP11B1 | |
| SCHEMBL8493170 | 0.83 | ADORA2A (0.43) | APPALDH1A1NCF1ROCK1ADORA2A | |
| Ammonia Solution, Strong SCHEMBL28903975 | 0.83 | PDE3B (0.49) | ALDH1A1CYP11B1CYP11B2LTA4HNPSR1 | |
| SCHEMBL11365490 | 0.82 | ALDH1A1 (0.47) | ALDH1A1CYP2D6ATMCYP11B1CYP11B2 | |
| SCHEMBL31473910 | 0.82 | ALDH1A1 (0.47) | ALDH1A1CYP2D6ATMCYP11B1CYP11B2 | |
| SCHEMBL11368763 | 0.82 | ALDH1A1 (0.47) | ALDH1A1CYP2D6ATMCYP11B1CYP11B2 | |
| SCHEMBL32680731 | 0.81 | HSP90AB1 (0.51) | CYP2D6HSP90AB1CYP1A2PDE10A | |
| SCHEMBL11367739 | 0.81 | SYK (0.63) | APPALDH1A1CYP2D6ATMHSP90AB1 | |
| SCHEMBL28360853 | 0.80 | ALDH1A1 (0.47) | APPALDH1A1CYP2D6ATMLTA4H | |
| SCHEMBL29532124 | 0.79 | NCF1 (0.53) | APPALDH1A1CYP2D6ATMLTA4H |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108003100-A | A kind of synthetic method of the nitrogenous heterocyclic aminated compounds of pharmaceutical intermediate | 北京六合宁远科技有限公司 | 2018-05-08 | — | — | CN | disclosed |
| 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 | APP 4867/4885ALDH1A1 997/4885CYP2D6 32/4885 |
| US-20120029012-A1 | 5, 6, or 7-SUBSTITUTED -3-(HETERO) ARYLISOQUINOLINAMINE DERIVATIVES AND THERAPEUTIC USE THEREOF | FANCD2, NRAS, CCND2 | APP 4867/4885ALDH1A1 997/4885CYP2D6 32/4885 |
“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.