Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B1 | P14061 | 5/20 | 0.59 |
| ▸ | HSD17B2 | P37059 | 5/20 | 0.59 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.53 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.53 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.53 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.53 |
| ▸ | PLAU | P00749 | 1/20 | 0.48 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.48 |
| ▸ | ESR1 | P03372 | 2/20 | 0.46 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.46 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | G6PD | P11413 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL2608798 | 0.91 | HSD17B1 (0.59) | HSD17B1HSD17B2GRIN2DGRIN2AGRIN2B | |
| SCHEMBL5083275 | 0.89 | HSD17B1 (0.56) | HSD17B1HSD17B2GRIN2DGRIN2AGRIN2B | |
| SCHEMBL19425721 | 0.83 | HSD17B1 (0.55) | HSD17B1HSD17B2GRIN2DGRIN2AGRIN2B | |
| SCHEMBL15631716 | 0.82 | HSD17B1 (0.50) | HSD17B1HSD17B2GRIN2DGRIN2AGRIN2B | |
| SCHEMBL14100569 | 0.82 | HSD17B1 (0.46) | HSD17B1HSD17B2PLAUCTDSP1CYP1A2 | |
| SCHEMBL7793914 | 0.81 | GRIN2D (0.61) | HSD17B1HSD17B2GRIN2DGRIN2AGRIN2B | |
| SCHEMBL29857010 | 0.81 | CYP1A2 (0.62) | HSD17B1HSD17B2GRIN2DGRIN2AGRIN2B | |
| SCHEMBL2115683 | 0.81 | CYP1A2 (0.62) | HSD17B1HSD17B2GRIN2DGRIN2AGRIN2B | |
| SCHEMBL23912230 | 0.79 | ALDH1A1 (0.58) | CYP1A2ALDH1A1MAPTHPGDHIF1A | |
| SCHEMBL7046826 | 0.79 | HSD17B1 (0.47) | HSD17B1HSD17B2GRIN2DGRIN2AGRIN2B |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2017210072-A1 | ELECTROACTIVE COMPOUNDS | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2017-12-07 | — | — | WO | disclosed |
| US-8946188-B2 | Anti-microbial agents and uses thereof | SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) | 2015-02-03 | — | — | US | disclosed |
| EP-2590950-B1 | N-CYCLYL-3-(CYCLYLCARBONYLAMINOMETHYL)BENZAMIDE DERIVATIVES AS RHO KINASE INHIBITORS | BOEHRINGER INGELHEIM INT (DE) | 2014-10-15 | — | — | EP | disclosed |
| US-20140024611-A1 | ANTI-MICROBIAL AGENTS AND USES THEREOF | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2014-01-23 | — | — | US | disclosed |
| US-8461128-B2 | Anti-microbial agents and uses thereof | SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) | 2013-06-11 | — | — | US | disclosed |
| US-20120165322-A1 | RHO KINASE INHIBITORS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-06-28 | — | — | US | disclosed |
| WO-2012006203-A1 | N-CYCLYL-3 - (CYCLYLCARBONYLAMINOMETHYL) BENZAMIDE DERIVATIVES AS RHO KINASE INHIBITORS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-01-12 | — | — | WO | disclosed |
| US-20090170805-A1 | ANTI-MICROBIAL AGENTS AND USES THEREOF | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2009-07-02 | — | — | 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 (3 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-20140024611-A1 | ANTI-MICROBIAL AGENTS AND USES THEREOF | ACAT1, ACAT2, APEH | HSD17B1 3947/4885HSD17B2 4223/4885GRIN2D 4171/4885 |
| US-20120165322-A1 | RHO KINASE INHIBITORS | ROCK1, ROCK2, RHOA | HSD17B1 1547/4885HSD17B2 1666/4885GRIN2D 4562/4885 |
| US-20090170805-A1 | ANTI-MICROBIAL AGENTS AND USES THEREOF | ACAT1, ACAT2, APEH | HSD17B1 3947/4885HSD17B2 4223/4885GRIN2D 4171/4885 |
“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.