Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.57 |
| ▸ | NPC1 | O15118 | 2/20 | 0.57 |
| ▸ | MAPT | P10636 | 2/20 | 0.57 |
| ▸ | RAB9A | P51151 | 2/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.57 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | PARP1 | P09874 | 4/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | USP2 | O75604 | 1/20 | 0.42 |
| ▸ | GLA | P06280 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.42 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.40 |
| ▸ | CDC7 | O00311 | 1/20 | 0.40 |
| ▸ | DBF4 | Q9UBU7 | 1/20 | 0.40 |
| ▸ | TMIGD3 | P0DMS9 | 2/20 | 0.40 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL5435622 | 0.82 | KDM4E (0.60) | KDM4EALDH1A1NPC1MAPTRAB9A | |
| SCHEMBL16652953 | 0.79 | KDM4E (0.57) | KDM4EALDH1A1NPC1MAPTRAB9A | |
| SCHEMBL16652890 | 0.73 | RAB9A (1.00) | KDM4EALDH1A1NPC1MAPTRAB9A | |
| SCHEMBL19838253 | 0.72 | SMN1; SMN2 (0.50) | KDM4EALDH1A1NPC1MAPTRAB9A | |
| SCHEMBL16652889 | 0.72 | KDM4E (0.50) | KDM4EALDH1A1NPC1MAPTRAB9A | |
| SCHEMBL654538 | 0.71 | ALDH1A1 (0.75) | KDM4EALDH1A1NPC1MAPTRAB9A | |
| SCHEMBL18351098 | 0.69 | KDM4E (0.60) | KDM4EALDH1A1NPC1MAPTRAB9A | |
| SCHEMBL16653487 | 0.69 | KDM4E (0.47) | KDM4EALDH1A1NPC1MAPTRAB9A | |
| SCHEMBL16659889 | 0.68 | KDM4E (0.46) | KDM4EALDH1A1NPC1MAPTRAB9A | |
| SCHEMBL278356 | 0.68 | ALDH1A1 (0.46) | KDM4EALDH1A1NPC1MAPTRAB9A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017031176-A1 | MONOCYCLIC, THIENO, PYRIDO, AND PYRROLO PYRIMIDINE COMPOUNDS AND METHODS OF USE AND MANUFACTURE OF THE SAME | DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) | 2017-02-23 | — | — | WO | disclosed |
| US-20170050978-A1 | Monocyclic, Thieno, Pyrido, and Pyrrolo Pyrimidine Compounds and Methods of Use and Manufacture of the Same | DUQUESNE UNIVERSITY OF THE HOLY SPIRIT | 2017-02-23 | — | — | US | disclosed |
| US-9402826-B2 | Neuronal pain pathway modulators | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) | 2016-08-02 | — | — | US | disclosed |
| US-20150126576-A1 | NEURONAL PAIN PATHWAY MODULATORS | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) | 2015-05-07 | — | — | US | disclosed |
| US-8846742-B2 | Neuronal pain pathway modulators | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) | 2014-09-30 | — | — | US | disclosed |
| US-8183276-B2 | Therapeutic agents | MERCK SHARP & DOHME CORP. | 2012-05-22 | — | — | US | disclosed |
| US-20080176920-A1 | protein kinase G inhibitors; analogs of balanol | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK | 2008-07-24 | — | — | 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-20150126576-A1 | NEURONAL PAIN PATHWAY MODULATORS | GRIN3A, GRIN3B, OPRK1 | KDM4E 3391/4885ALDH1A1 3886/4885NPC1 2389/4885 |
| US-20080176920-A1 | protein kinase G inhibitors; analogs of balanol | PRKCG, GRK3, PRKG1 | KDM4E 2960/4885ALDH1A1 4806/4885NPC1 2206/4885 |
| US-20170050978-A1 | Monocyclic, Thieno, Pyrido, and Pyrrolo Pyrimidine Compounds and Methods of Use and Manufacture of the Same | CYP4F3, TYMS, DPYD | KDM4E 2571/4885ALDH1A1 1573/4885NPC1 810/4885 |
“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.