Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 12/20 | 1.00 |
| ▸ | RAB9A | P51151 | 9/20 | 1.00 |
| ▸ | NPC1 | O15118 | 8/20 | 1.00 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 1.00 |
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.86 |
| ▸ | MAPT | P10636 | 6/20 | 0.86 |
| ▸ | MEN1 | O00255 | 3/20 | 0.86 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.86 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.74 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.74 |
| ▸ | HPGD | P15428 | 2/20 | 0.74 |
| ▸ | RECQL | P46063 | 1/20 | 0.74 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.70 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.67 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.67 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.60 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
| ▸ | NCOA1 | Q15788 | 2/20 | 0.48 |
| ▸ | NCOA3 | Q9Y6Q9 | 2/20 | 0.48 |
| ▸ | HTT | P42858 | 2/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL5357917 | 0.83 | ALDH1A1 (0.70) | ALDH1A1RAB9ANPC1SMN1; SMN2KDM4E | |
| SCHEMBL5357915 | 0.83 | ALDH1A1 (0.70) | ALDH1A1RAB9ANPC1SMN1; SMN2KDM4E | |
| SCHEMBL232758 | 0.82 | ALDH1A1 (0.75) | ALDH1A1RAB9ANPC1SMN1; SMN2KDM4E | |
| SCHEMBL2754084 | 0.82 | ALDH1A1 (0.75) | ALDH1A1RAB9ANPC1SMN1; SMN2KDM4E | |
| SCHEMBL232759 | 0.82 | ALDH1A1 (0.75) | ALDH1A1RAB9ANPC1SMN1; SMN2KDM4E | |
| SCHEMBL23207060 | 0.80 | ALDH1A1 (0.66) | ALDH1A1RAB9ANPC1SMN1; SMN2KDM4E | |
| SCHEMBL23162498 | 0.80 | ALDH1A1 (0.66) | ALDH1A1RAB9ANPC1SMN1; SMN2KDM4E | |
| SCHEMBL23162497 | 0.80 | ALDH1A1 (0.66) | ALDH1A1RAB9ANPC1SMN1; SMN2KDM4E | |
| SCHEMBL15329970 | 0.77 | ALDH1A1 (0.62) | ALDH1A1RAB9ANPC1SMN1; SMN2KDM4E | |
| SCHEMBL3112087 | 0.76 | ALDH1A1 (0.73) | ALDH1A1RAB9ANPC1SMN1; SMN2KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| US-9550761-B2 | Modulators of ATP-binding cassette transporters | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2017-01-24 | — | — | US | disclosed |
| US-8962856-B2 | Modulators of cystic fibrosis transmembrane conductance regulator | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2015-02-24 | — | — | US | disclosed |
| US-20140121381-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2014-05-01 | — | — | US | disclosed |
| US-20140080825-A1 | Modulators of ATP-binding cassette transporters | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2014-03-20 | — | — | US | disclosed |
| US-8586615-B2 | Modulators of cystic fibrosis transmembrane conductance regulator | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-11-19 | — | — | US | disclosed |
| US-8541453-B2 | Modulators of ATP-binding cassette transporters | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-09-24 | — | — | US | disclosed |
| US-20120010257-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-01-12 | — | — | US | disclosed |
| US-20110306637-A1 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-12-15 | — | — | US | disclosed |
| US-7999113-B2 | Such as 1-(benzo[d][1,3]dioxol-6-yl)-n-(5-((2-chlorophenyl)(3-hydroxypyrrolidin-1-yl)methyl)thiazol-2-yl)cyclopropanecarboxamide; genetic disorders | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-08-16 | — | — | US | disclosed |
| US-7977322-B2 | Such as 1-Benzo[1,3]dioxol-5-yl-cyclopropanecarboxylic acid [5-(2-methoxy-pyridin-3-ylmethyl)-thiazol-2-yl]-amide 5-(2-Methoxy-pyridin-3-ylmethyl)-thiazol-2-ylamine; cystic fibrosis transmembrane conductance regulator disorders | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-07-12 | — | — | US | disclosed |
| US-20080176899-A1 | Modulators of ATP-Binding Cassette transporters | VERTEX PHARMACEUTICALS INCORPORATED | 2008-07-24 | — | — | US | disclosed |
| US-20080161371-A1 | Modulators of cystic fibrosis transmembrane conductance regulator | FIRST-CITIZENS BANK & TRUST COMPANY | 2008-07-03 | — | — | 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 (6 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-20110306637-A1 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | CFTR, ABCB1, ABCC2 | ALDH1A1 1892/4885RAB9A 2302/4885NPC1 29/4885 |
| US-20140080825-A1 | Modulators of ATP-binding cassette transporters | CFTR, ABCB1, ABCC2 | ALDH1A1 1892/4885RAB9A 2302/4885NPC1 29/4885 |
| US-20120010257-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | CFTR, SCNN1G, SCNN1B | ALDH1A1 3109/4885RAB9A 1968/4885NPC1 138/4885 |
| US-20140121381-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | CFTR, SCNN1G, SCNN1B | ALDH1A1 3109/4885RAB9A 1968/4885NPC1 138/4885 |
| US-20080176899-A1 | Modulators of ATP-Binding Cassette transporters | CFTR, ABCB1, ABCC2 | ALDH1A1 1892/4885RAB9A 2302/4885NPC1 29/4885 |
| US-20080161371-A1 | Modulators of cystic fibrosis transmembrane conductance regulator | CFTR, SCNN1G, SCNN1B | ALDH1A1 3109/4885RAB9A 1968/4885NPC1 138/4885 |
“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.