Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | SLC6A3 | Q01959 | 8/20 | 0.47 |
| ▸ | SLC6A4 | P31645 | 7/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | CMA1 | P23946 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL3519183 | 0.92 | SLC6A3 (0.55) | ALDH1A1HSD17B10TDP1SLC6A3SLC6A4 | |
| SCHEMBL8895190 | 0.89 | LMNA (0.47) | ALDH1A1HSD17B10TDP1SLC6A3SLC6A4 | |
| SCHEMBL15256565 | 0.79 | SLC6A3 (0.31) | ALDH1A1HSD17B10TDP1SLC6A3 | |
| SCHEMBL9585481 | 0.78 | SLC6A3 (0.44) | ALDH1A1HSD17B10TDP1SLC6A3SLC6A4 | |
| SCHEMBL17656334 | 0.75 | ERN1 (0.44) | SLC6A4HDAC3HDAC1HDAC2HDAC6 | |
| SCHEMBL8531012 | 0.73 | SLC6A3 (0.43) | ALDH1A1SLC6A3SLC6A4CYP3A4MAPT | |
| SCHEMBL3604519 | 0.72 | SLC6A3 (0.56) | ALDH1A1HSD17B10TDP1SLC6A3SLC6A4 | |
| SCHEMBL13073555 | 0.72 | SLC6A3 (0.54) | ALDH1A1HSD17B10TDP1SLC6A3SLC6A4 | |
| SCHEMBL12345140 | 0.70 | PDE4A (0.33) | — | |
| SCHEMBL699497 | 0.70 | CFTR (0.54) | ALDH1A1SLC6A3SLC6A4MAPK1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-3208272-A1 | HETEROCYCLIC MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | Vertex Pharmaceuticals Incorporated (US) | 2017-08-23 | — | — | EP | disclosed |
| US-9550761-B2 | Modulators of ATP-binding cassette transporters | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2017-01-24 | — | — | US | disclosed |
| US-20140080825-A1 | Modulators of ATP-binding cassette transporters | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2014-03-20 | — | — | US | disclosed |
| US-8541453-B2 | Modulators of ATP-binding cassette transporters | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-09-24 | — | — | US | disclosed |
| EP-1945632-B1 | HETEROCYCLIC MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | VERTEX PHARMA (US) | 2013-09-18 | — | — | EP | disclosed |
| US-20110306637-A1 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-12-15 | — | — | US | disclosed |
| EP-2395002-A1 | Pharmaceutical composition containing a heterocyclic modulator of ATP-binding cassette transporters. | Vertex Pharmaceuticals Incorporated (US) | 2011-12-14 | — | — | EP | disclosed |
| CN-102245573-A | Heteroaryl derivatives as cftr modulators | VERTEX PHARMA | 2011-11-16 | — | — | CN | 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 |
| WO-2009006315-A1 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS FOR TREATING CYSTIC FIBROSIS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2009-01-08 | — | — | WO | disclosed |
| US-20080176899-A1 | Modulators of ATP-Binding Cassette transporters | VERTEX PHARMACEUTICALS INCORPORATED | 2008-07-24 | — | — | US | disclosed |
| WO-2007056341-A1 | HETEROCYCLIC MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2007-05-18 | — | — | WO | disclosed |
| US-5248834-A | Pesticides | BRITISH TECHNOLOGY GROUP LIMITED (GB) | 1993-09-28 | — | — | US | disclosed |
| EP-0179788-B1 | PESTICIDES | NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) | 1991-06-12 | — | — | EP | 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-20110306637-A1 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | CFTR, ABCB1, ABCC2 | ALDH1A1 1892/4885HSD17B10 1526/4885TDP1 4312/4885 |
| US-20140080825-A1 | Modulators of ATP-binding cassette transporters | CFTR, ABCB1, ABCC2 | ALDH1A1 1892/4885HSD17B10 1526/4885TDP1 4312/4885 |
| US-20080176899-A1 | Modulators of ATP-Binding Cassette transporters | CFTR, ABCB1, ABCC2 | ALDH1A1 1892/4885HSD17B10 1526/4885TDP1 4312/4885 |
“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.