Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 3/20 | 0.58 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.47 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.47 |
| ▸ | DPP4 | P27487 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.42 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| SCHEMBL787390 | 1.00 | KMT2A (0.58) | KMT2APTGS1PTGS2DPP4CYP3A4 | |
| SCHEMBL7880421 | 1.00 | KMT2A (0.58) | KMT2APTGS1PTGS2DPP4CYP3A4 | |
| SCHEMBL27865174 | 0.84 | KMT2A (0.56) | KMT2APTGS1PTGS2DPP4CYP3A4 | |
| SCHEMBL9098541 | 0.84 | DPP4 (0.45) | KMT2ADPP4CYP1A2CYP2D6TSHR | |
| SCHEMBL27813870 | 0.82 | MMP8 (0.51) | KMT2ADPP4TSHRMEN1ALDH1A1 | |
| SCHEMBL4731036 | 0.81 | KMT2A (0.58) | KMT2APTGS1PTGS2DPP4CYP3A4 | |
| SCHEMBL12067910 | 0.81 | KMT2A (0.58) | KMT2APTGS1PTGS2DPP4CYP3A4 | |
| SCHEMBL487429 | 0.81 | KMT2A (0.58) | KMT2APTGS1PTGS2DPP4CYP3A4 | |
| SCHEMBL7357555 | 0.81 | KMT2A (0.75) | KMT2APTGS1PTGS2DPP4CYP3A4 | |
| SCHEMBL14626670 | 0.81 | KMT2A (0.62) | KMT2APTGS1PTGS2TSHRMEN1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8034974-B2 | Beta-amino acids and methods intermediates for making same | NDSU RESEARCH FOUNDATION (US) | 2011-10-11 | — | — | US | disclosed |
| US-20110218342-A1 | BETA-AMINO ACIDS AND METHODS AND INTERMEDIATES FOR MAKING SAME | NORTH DAKOTA STATE UNIVERSITY | 2011-09-08 | — | — | US | disclosed |
| US-7714018-B2 | Heterocyclic antiviral compounds | ROCHE PALO ALTO LLC (US) | 2010-05-11 | — | — | US | disclosed |
| US-20070191406-A1 | Heterocyclic antiviral compounds | ROCHE PALO ALTO LLC | 2007-08-16 | — | — | US | disclosed |
| US-20070191335-A1 | 4-{2-[5-(4,6-Dimethyl-pyrimidine-5-carbonyl)-hexahydro-pyrrolo[3,4-c]pyrrol-2-yl]-ethyl}-4-phenyl-piperidine-1-carboxylic acid tert-butyl ester,chemokine receptor antagonist; human immunodeficiency virus (HIV) infection, AIDS or ARC, antiinflammatory agent, autoimmune diseases, graft v. host disease | ROCHE PALO ALTO LLC | 2007-08-16 | — | — | US | disclosed |
| US-20070117859-A1 | Heterocyclic antiviral compounds | ROCHE PALO ALTO LLC | 2007-05-24 | — | — | 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 (4 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-20070191335-A1 | 4-{2-[5-(4,6-Dimethyl-pyrimidine-5-carbonyl)-hexahydro-pyrrolo[3,4-c]pyrrol-2-yl]-ethyl}-4-phenyl-piperidine-1-carboxylic acid tert-butyl ester,chemokine receptor antagonist; human immunodeficiency virus (HIV) infection, AIDS or ARC, antiinflammatory agent, autoimmune diseases, graft v. host disease | CCR5, CXCR1, CXCR3 | KMT2A 4133/4885PTGS1 1908/4885PTGS2 2633/4885 |
| US-20070191406-A1 | Heterocyclic antiviral compounds | CCR5, CX3CR1, CXCR1 | KMT2A 4443/4885PTGS1 2682/4885PTGS2 3734/4885 |
| US-20110218342-A1 | BETA-AMINO ACIDS AND METHODS AND INTERMEDIATES FOR MAKING SAME | BCAT1, BCAT2, DAO | KMT2A 2804/4885PTGS1 1004/4885PTGS2 702/4885 |
| US-20070117859-A1 | Heterocyclic antiviral compounds | CCR5, ACKR3, CXCR1 | KMT2A 4599/4885PTGS1 1750/4885PTGS2 2281/4885 |
“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.