Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 3/20 | 0.44 |
| ▸ | NCF1 | P14598 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.41 |
| ▸ | GPR3 | P46089 | 1/20 | 0.41 |
| ▸ | NOS3 | P29474 | 1/20 | 0.41 |
| ▸ | NOS2 | P35228 | 1/20 | 0.41 |
| ▸ | HTR3A | P46098 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.37 |
| ▸ | HPGD | P15428 | 3/20 | 0.37 |
| ▸ | NUDT1 | P36639 | 3/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.37 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | BPTF | Q12830 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Isophthalic Acid SCHEMBL27798930 | 0.83 | CDC25B (0.44) | CYP1A2ALDH1A1HSD17B10HPGDKDM4E | |
| SCHEMBL13804174 | 0.78 | NCF1 (0.42) | CYP2A6NCF1CYP1A2NOS3NOS2 | |
| SCHEMBL21786398 | 0.78 | NCF1 (0.42) | CYP2A6NCF1CYP1A2NOS3NOS2 | |
| SCHEMBL23735857 | 0.77 | NCF1 (0.41) | CYP2A6NCF1CYP1A2NOS3NOS2 | |
| SCHEMBL12539809 | 0.77 | ADORA3 (0.49) | NUDT1KDM4E | |
| SCHEMBL13804185 | 0.76 | NUDT1 (0.53) | NCF1CYP1A2ALDH1A1HSD17B10HPGD | |
| SCHEMBL20327160 | 0.76 | NCF1 (0.40) | CYP2A6NCF1CYP1A2NOS3NOS2 | |
| SCHEMBL11916176 | 0.75 | SMN1; SMN2 (0.63) | NOS2ALDH1A1HSD17B10HPGDKDM4E | |
| SCHEMBL9218101 | 0.74 | CYP2A6 (0.50) | CYP2A6CYP1A2GPR3ALDH1A1HSD17B10 | |
| SCHEMBL637928 | 0.74 | CYP2A6 (0.50) | CYP2A6NCF1CYP1A2GPR3ALDH1A1 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9522145-B2 | Modulators of ATP-binding cassette transporters | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2016-12-20 | — | — | US | disclosed |
| US-20150190390-A1 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | VERTEX PHARMACEUTICALS INCORPORATED | 2015-07-09 | — | — | US | disclosed |
| US-9012473-B2 | Modulators of ATP-binding cassette transporters | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2015-04-21 | — | — | US | disclosed |
| US-20140206689-A1 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2014-07-24 | — | — | US | disclosed |
| US-8722704-B2 | Modulators of ATP-binding cassette-transporters | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2014-05-13 | — | — | US | disclosed |
| US-20130296364-A1 | MODULATORS OF ATP-BINDING CASSETTE-TRANSPORTERS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-11-07 | — | — | US | disclosed |
| US-8507524-B2 | Modulators of ATP-binding cassette-transporters | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-08-13 | — | — | US | disclosed |
| CN-101687875-A | Pyrrolopyrimidin-7-one derivatives and their use as pharmaceuticals | ASTRAZENECA AB | 2010-03-31 | — | — | CN | disclosed |
| US-20090143381-A1 | MODULATORS OF ATP-BINDING CASSETTE-TRANSPORTERS | VERTEX PHARMACEUTICALS INCORPORATED | 2009-06-04 | — | — | 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-20150190390-A1 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | CFTR, ABCB1, ABCC2 | CYP2A6 1024/4885NCF1 2050/4885CYP1A2 2015/4885 |
| US-20130296364-A1 | MODULATORS OF ATP-BINDING CASSETTE-TRANSPORTERS | CFTR, ABCB1, ABCC2 | CYP2A6 1069/4885NCF1 2119/4885CYP1A2 2017/4885 |
| US-20090143381-A1 | MODULATORS OF ATP-BINDING CASSETTE-TRANSPORTERS | CFTR, ABCB1, ABCC2 | CYP2A6 1069/4885NCF1 2119/4885CYP1A2 2017/4885 |
| US-20140206689-A1 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | CFTR, ABCB1, ABCC2 | CYP2A6 945/4885NCF1 1979/4885CYP1A2 1815/4885 |
“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.