Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.48 |
| ▸ | TSHR | P16473 | 3/20 | 0.48 |
| ▸ | CA2 | P00918 | 2/20 | 0.45 |
| ▸ | CA1 | P00915 | 1/20 | 0.45 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.41 |
| ▸ | ESR1 | P03372 | 2/20 | 0.41 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.34 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL258619 | 0.79 | HSP90AA1 (0.57) | HSD17B10TSHRCA2CA1ESR2 | |
| SCHEMBL1277361 | 0.79 | APP (0.42) | HSD17B10CA2CA1ESR2ESR1 | |
| SCHEMBL177501 | 0.79 | HSP90AA1 (0.47) | HSD17B10TSHRHSP90AA1CYP3A4SMN1; SMN2 | |
| SCHEMBL754809 | 0.76 | ALDH1A1 (0.55) | HSD17B10TSHRCA2CA1HSP90AA1 | |
| SCHEMBL177455 | 0.74 | CYP3A4 (0.45) | HPGDALDH1A1CYP3A4LMNASMN1; SMN2 | |
| SCHEMBL522666 | 0.74 | SOS1 (0.46) | HSD17B10ALDH1A1MAPK1SMN1; SMN2MAPT | |
| SCHEMBL9445013 | 0.74 | HSP90AA1 (0.68) | HSD17B10TSHRCA2CA1ESR2 | |
| SCHEMBL423469 | 0.74 | ESR1 (0.41) | HSD17B10ESR2ESR1CYP3A4HSD17B1 | |
| SCHEMBL11045939 | 0.72 | HSP90AA1 (0.60) | HSD17B10TSHRCA2CA1ESR2 | |
| SCHEMBL9623378 | 0.72 | ESR1 (0.58) | HSD17B10TSHRCA2CA1ESR2 |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116744918-A | HSD17B13 inhibitors and uses thereof | FL2022-001公司 | 2023-09-12 | — | — | CN | disclosed |
| CN-114727954-A | Wet packed soft hydrogel ocular inserts | 爱尔康公司 | 2022-07-08 | — | — | CN | disclosed |
| US-9670189-B2 | Substituted condensed pyrimidine compounds | Grünenthal GmbH (DE) | 2017-06-06 | — | — | US | disclosed |
| EP-2951173-B1 | NOVEL SUBSTITUTED CONDENSED PYRIMIDINE COMPOUNDS | GRUENENTHAL GMBH (DE) | 2017-05-17 | — | — | EP | disclosed |
| EP-2597955-B1 | QUINOLINE DERIVATIVES AND MELK INHIBITORS CONTAINING THE SAME | ONCOTHERAPY SCIENCE INC (JP) | 2016-01-20 | — | — | EP | disclosed |
| EP-2951173-A1 | NOVEL SUBSTITUTED CONDENSED PYRIMIDINE COMPOUNDS | Grünenthal GmbH (DE) | 2015-12-09 | — | — | EP | disclosed |
| US-20150344496-A1 | NOVEL SUBSTITUTED CONDENSED PYRIMIDINE COMPOUNDS | Grünenthal GmbH (DE) | 2015-12-03 | — | — | US | disclosed |
| US-9120749-B2 | Quinoline derivatives and MELK inhibitors containing the same | ONCOTHERAPY SCIENCE, INC. (JP) | 2015-09-01 | — | — | US | disclosed |
| WO-2014117948-A1 | NOVEL SUBSTITUTED CONDENSED PYRIMIDINE COMPOUNDS | Grünenthal GmbH (DE) | 2014-08-07 | — | — | WO | disclosed |
| US-20130217671-A1 | QUINOLINE DERIVATIVES AND MELK INHIBITORS CONTAINING THE SAME | ONCOTHERAPY SCIENCE, INC. (JP) | 2013-08-22 | — | — | US | disclosed |
| EP-2597955-A1 | QUINOLINE DERIVATIVES AND MELK INHIBITORS CONTAINING THE SAME | OncoTherapy Science, Inc. (JP) | 2013-06-05 | — | — | EP | disclosed |
| WO-2012016082-A1 | QUINOLINE DERIVATIVES AND MELK INHIBITORS CONTAINING THE SAME | ONCOTHERAPY SCIENCE, INC. (JP) | 2012-02-02 | — | — | 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 (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-20150344496-A1 | NOVEL SUBSTITUTED CONDENSED PYRIMIDINE COMPOUNDS | TYMP, PDE4A, DPYD | HSD17B10 1333/4885TSHR 4742/4885CA2 1716/4885 |
| US-20130217671-A1 | QUINOLINE DERIVATIVES AND MELK INHIBITORS CONTAINING THE SAME | MELK, NADK, NEK1 | HSD17B10 3462/4885TSHR 4101/4885CA2 3431/4885 |
“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.