Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.42 |
| ▸ | ACHE | P22303 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 7/20 | 0.36 |
| ▸ | MEN1 | O00255 | 5/20 | 0.36 |
| ▸ | FABP3 | P05413 | 1/20 | 0.36 |
| ▸ | FABP4 | P15090 | 1/20 | 0.36 |
| ▸ | PRNP | P04156 | 1/20 | 0.36 |
| ▸ | PPARG | P37231 | 1/20 | 0.36 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.36 |
| ▸ | NR2E3 | Q9Y5X4 | 1/20 | 0.36 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.36 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL4244328 | 0.98 | ALDH1A1 (0.47) | ALDH1A1MAPK1SMN1; SMN2CYP3A4ACHE | |
| SCHEMBL21722819 | 0.84 | ALDH1A1 (0.40) | ALDH1A1MAPK1SMN1; SMN2CYP3A4ACHE | |
| SCHEMBL31125623 | 0.79 | ALDH1A1 (0.68) | ALDH1A1MAPK1SMN1; SMN2CYP3A4ACHE | |
| SCHEMBL5391695 | 0.79 | ALDH1A1 (0.52) | ALDH1A1MAPK1SMN1; SMN2CYP3A4ACHE | |
| SCHEMBL7788152 | 0.79 | ALDH1A1 (0.68) | ALDH1A1MAPK1SMN1; SMN2CYP3A4ACHE | |
| SCHEMBL22445800 | 0.78 | ALDH1A1 (0.50) | ALDH1A1MAPK1SMN1; SMN2CYP3A4ACHE | |
| SCHEMBL4746949 | 0.78 | ALDH1A1 (0.50) | ALDH1A1MAPK1SMN1; SMN2CYP3A4ACHE | |
| SCHEMBL13934247 | 0.77 | SMN1; SMN2 (0.50) | ALDH1A1SMN1; SMN2CYP3A4HTTMAPT | |
| SCHEMBL2132960 | 0.76 | ALDH1A1 (0.63) | ALDH1A1MAPK1SMN1; SMN2CYP3A4ACHE | |
| SCHEMBL6582434 | 0.76 | ALDH1A1 (0.44) | ALDH1A1MAPK1SMN1; SMN2CYP3A4ACHE |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2655370-B1 | COMPOSITIONS AND METHODS FOR MODULATING FXR | NOVARTIS AG (CH) | 2017-08-02 | — | — | EP | disclosed |
| US-20150366856-A1 | COMPOUNDS AND METHODS FOR MODULATING FXR | NOVARTIS AG (CH) | 2015-12-24 | — | — | US | disclosed |
| US-9150568-B2 | Compositions and methods for modulating FXR | NOVARTIS AG (CH) | 2015-10-06 | — | — | US | disclosed |
| US-20130331349-A1 | COMPOSITIONS AND METHODS FOR MODULATING FXR | IRM LLC (BM) | 2013-12-12 | — | — | US | disclosed |
| EP-2655370-A1 | COMPOSITIONS AND METHODS FOR MODULATING FXR | IRM LLC (BM) | 2013-10-30 | — | — | EP | disclosed |
| WO-2012087519-A1 | COMPOSITIONS AND METHODS FOR MODULATING FXR | IRM LLC (BM) | 2012-06-28 | — | — | WO | disclosed |
| US-20100298366-A1 | CHEMOKINE RECEPTOR BINDING COMPOUNDS | GENZYME CORPORATION (US) | 2010-11-25 | — | — | US | disclosed |
| US-7790747-B2 | Chemokine receptor binding compounds | GENZYME CORPORATION (US) | 2010-09-07 | — | — | US | disclosed |
| EP-1942890-A4 | CHEMOKINE RECEPTOR BINDING COMPOUNDS | GENZYME CORP (US) | 2009-08-26 | — | — | EP | disclosed |
| US-20090099205-A1 | Chemokine receptor binding compounds | GENZYME CORPORATION | 2009-04-16 | — | — | US | disclosed |
| US-7498346-B2 | viricide, antiinflammatory agent; autoimmune diseases; protective effects against infection of target cells by a human immunodeficiency virus (HIV); 6-Chloro-N-((R)-3-{4-[(4-methoxy-phenyl)-(4-methyl-pyridin-3-ylmethyl)-amino]-piperidin-1-yl}-butyl)-2,4-dimethyl-nicotinamide | GENZYME CORPORATION (US) | 2009-03-03 | — | — | US | disclosed |
| EP-1942890-A2 | CHEMOKINE RECEPTOR BINDING COMPOUNDS | ANORMED INC. (CA) | 2008-07-16 | — | — | EP | disclosed |
| EP-1896023-A2 | CHEMOKINE RECEPTOR BINDING COMPOUNDS | ANORMED INC. (CA) | 2008-03-12 | — | — | EP | disclosed |
| WO-2006138350-A2 | CHEMOKINE RECEPTOR BINDING COMPOUNDS | ANORMED INC. (CA) | 2006-12-28 | — | — | WO | disclosed |
| WO-2006138259-A2 | CHEMOKINE RECEPTOR BINDING COMPOUNDS | ANORMED INC. (CA) | 2006-12-28 | — | — | WO | disclosed |
| US-20050277668-A1 | viricide, antiinflammatory agent; autoimmune diseases; protective effects against infection of target cells by a human immunodeficiency virus (HIV); 6-Chloro-N-((R)-3-{4-[(4-methoxy-phenyl)-(4-methyl-pyridin-3-ylmethyl)-amino]-piperidin-1-yl}-butyl)-2,4-dimethyl-nicotinamide | ANORMED INC. | 2005-12-15 | — | — | 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 (5 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-20050277668-A1 | viricide, antiinflammatory agent; autoimmune diseases; protective effects against infection of target cells by a human immunodeficiency virus (HIV); 6-Chloro-N-((R)-3-{4-[(4-methoxy-phenyl)-(4-methyl-pyridin-3-ylmethyl)-amino]-piperidin-1-yl}-butyl)-2,4-dimethyl-nicotinamide | CCR5, CCR2, CXCR3 | ALDH1A1 2515/4885MAPK1 686/4885SMN1; SMN2 3475/4885 |
| US-20100298366-A1 | CHEMOKINE RECEPTOR BINDING COMPOUNDS | CCR5, CXCR3, CCL5 | ALDH1A1 3358/4885MAPK1 1005/4885SMN1; SMN2 4838/4885 |
| US-20150366856-A1 | COMPOUNDS AND METHODS FOR MODULATING FXR | NR1H4, SLC10A1, FXR1 | ALDH1A1 2611/4885MAPK1 1316/4885SMN1; SMN2 4884/4885 |
| US-20090099205-A1 | Chemokine receptor binding compounds | CCR5, CXCR3, CCL5 | ALDH1A1 3358/4885MAPK1 1005/4885SMN1; SMN2 4838/4885 |
| US-20130331349-A1 | COMPOSITIONS AND METHODS FOR MODULATING FXR | NR1H4, SLC10A1, FXR1 | ALDH1A1 2951/4885MAPK1 1757/4885SMN1; SMN2 4882/4885 |
“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.