Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 4/20 | 0.71 |
| ▸ | CA1 | P00915 | 4/20 | 0.71 |
| ▸ | CA2 | P00918 | 4/20 | 0.71 |
| ▸ | CA9 | Q16790 | 4/20 | 0.71 |
| ▸ | GRIK1 | P39086 | 7/20 | 0.67 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.62 |
| ▸ | CDK19 | Q9BWU1 | 1/20 | 0.62 |
| ▸ | KCNMA1 | Q12791 | 2/20 | 0.58 |
| ▸ | P2RX1 | P51575 | 1/20 | 0.58 |
| ▸ | POLB | P06746 | 1/20 | 0.58 |
| ▸ | MEN1 | O00255 | 3/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.57 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.57 |
| ▸ | NPC1 | O15118 | 1/20 | 0.57 |
| ▸ | LMNA | P02545 | 1/20 | 0.57 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.57 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.57 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.57 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.57 |
| ▸ | PDE4A | P27815 | 1/20 | 0.57 |
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 | |
|---|---|---|---|---|
| SCHEMBL28295632 | 0.91 | KCNMA1 (0.68) | CA12CA1CA2CA9GRIK1 | |
| SCHEMBL1883575 | 0.90 | GRIK1 (0.70) | CA12CA1CA2CA9GRIK1 | |
| SCHEMBL17316238 | 0.89 | CA12 (0.59) | CA12CA1CA2CA9GRIK1 | |
| SCHEMBL1878682 | 0.88 | MEN1 (0.65) | CA12CA1CA2CA9GRIK1 | |
| SCHEMBL1882786 | 0.88 | NTRK1 (0.60) | CA12CA1CA2CA9GRIK1 | |
| SCHEMBL3676161 | 0.88 | GRIK1 (0.73) | CA12CA1CA2CA9GRIK1 | |
| SCHEMBL1885192 | 0.87 | MEN1 (0.71) | CA12CA1CA2CA9NTRK1 | |
| SCHEMBL4346945 | 0.87 | NTRK1 (0.74) | CA12CA1CA2CA9GRIK1 | |
| SCHEMBL4349313 | 0.87 | MAPT (0.70) | CA12CA1CA2CA9GRIK1 | |
| SCHEMBL17316233 | 0.85 | CA1 (0.70) | CA12CA1CA2CA9GRIK1 |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20110110958-A1 | COMPOSITIONS AND METHODS FOR THE TREATMENT OF NEOPLASIA | UNIVERSITY OF FLORIDA RESEARCH FOUNDATION (US) | 2011-05-12 | — | — | US | claimed |
| US-20110065760-A1 | COMPOUNDS FOR THE INHIBITION OF ROTAMASES AND USE THEREOF | JERINI AG (DE) | 2011-03-17 | — | — | US | claimed |
| CN-100546977-C | Suppress the new compound and the application thereof of rotamase | JERINI AG (DE) | 2009-10-07 | — | — | CN | claimed |
| EP-2100876-A2 | New compounds for the inhibition of rotamases and use thereof | Jerini AG (DE) | 2009-09-16 | — | — | EP | claimed |
| WO-2009054878-A2 | COMPOSITIONS AND METHODS FOR THE TREATMENT OF NEOPLASIA | UNIVERSITY OF FLORIDA RESEARCH FOUNDATION (US) | 2009-04-30 | — | — | WO | claimed |
| US-20070054904-A1 | Phenol derivatives and their use as rotamase inhibitors | JERINI AG (DE) | 2007-03-08 | — | — | US | claimed |
| CN-1701061-A | Novel compounds for inhibiting rotamase enzymes and uses thereof | JERINI AG (DE) | 2005-11-23 | — | — | CN | claimed |
| EP-1402887-A1 | New compounds for the inhibition of undesired cell proliferation and use thereof | Jerini AG (DE) | 2004-03-31 | — | — | EP | claimed |
| EP-1402888-A1 | The use of substituted carbocyclic compounds as rotamases inhibitors | Jerini AG (DE) | 2004-03-31 | — | — | EP | claimed |
| US-20110110958-A1 | COMPOSITIONS AND METHODS FOR THE TREATMENT OF NEOPLASIA | UNIVERSITY OF FLORIDA RESEARCH FOUNDATION (US) | 2011-05-12 | — | — | US | disclosed |
| US-20110110958-A1 | COMPOSITIONS AND METHODS FOR THE TREATMENT OF NEOPLASIA | UNIVERSITY OF FLORIDA RESEARCH FOUNDATION (US) | 2011-05-12 | — | — | US | disclosed |
| US-20110110958-A1 | COMPOSITIONS AND METHODS FOR THE TREATMENT OF NEOPLASIA | UNIVERSITY OF FLORIDA RESEARCH FOUNDATION (US) | 2011-05-12 | — | — | US | disclosed |
| EP-2100876-A2 | New compounds for the inhibition of rotamases and use thereof | Jerini AG (DE) | 2009-09-16 | — | — | EP | disclosed |
| WO-2009054878-A2 | COMPOSITIONS AND METHODS FOR THE TREATMENT OF NEOPLASIA | UNIVERSITY OF FLORIDA RESEARCH FOUNDATION (US) | 2009-04-30 | — | — | 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 (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-20110065760-A1 | COMPOUNDS FOR THE INHIBITION OF ROTAMASES AND USE THEREOF | NR1I3, NR1D1, NR1D2 | CA12 2054/4885CA1 374/4885CA2 2053/4885 |
| US-20070054904-A1 | Phenol derivatives and their use as rotamase inhibitors | NR1I3, NR1D1, NR1D2 | CA12 2458/4885CA1 532/4885CA2 1651/4885 |
| US-20110110958-A1 | COMPOSITIONS AND METHODS FOR THE TREATMENT OF NEOPLASIA | TP53, NUP205, ANXA5 | CA12 764/4885CA1 2157/4885CA2 2591/4885 |
“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.