Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP46A1 | Q9Y6A2 | 1/20 | 0.43 |
| ▸ | PTGES | O14684 | 1/20 | 0.41 |
| ▸ | NR4A2 | P43354 | 2/20 | 0.40 |
| ▸ | GRM5 | P41594 | 1/20 | 0.40 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.37 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | HCRTR1 | O43613 | 3/20 | 0.36 |
| ▸ | HCRTR2 | O43614 | 3/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | P2RX3 | P56373 | 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 | |
|---|---|---|---|---|
| SCHEMBL25544592 | 0.91 | CYP46A1 (0.39) | CYP46A1PTGESNR4A2GRM5OPRK1 | |
| SCHEMBL2201453 | 0.84 | CYP1A2 (0.48) | PTGESNR4A2GAAKDM4EMEN1 | |
| SCHEMBL12027328 | 0.84 | CSNK2A1 (0.46) | PTGESHCRTR1HCRTR2MEN1KMT2A | |
| Iodomethane SCHEMBL2203367 | 0.82 | CYP1A2 (0.46) | PTGESNR4A2GAAKDM4EMEN1 | |
| SCHEMBL25544579 | 0.77 | CYP46A1 (0.44) | CYP46A1NR4A2TDP1PDK2PDK4 | |
| SCHEMBL15357881 | 0.77 | CYP46A1 (0.48) | CYP46A1NR4A2TDP1PDK2PDK4 | |
| SCHEMBL3178340 | 0.76 | KDM4E (0.44) | PTGESNR4A2GAAKDM4EMEN1 | |
| SCHEMBL28887682 | 0.75 | LMNA (0.47) | CYP46A1NR4A2KDM4EALDH1A1HSP90AA1 | |
| SCHEMBL5846153 | 0.75 | GAA (0.51) | CYP46A1NR4A2TDP1GAAKDM4E | |
| SCHEMBL21430508 | 0.74 | KDM4E (0.48) | GRM5GAAKDM4EKMT2AALDH1A1 |
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 4 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-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 |
| US-20110306637-A1 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-12-15 | — | — | 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 (2 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 | CYP46A1 557/4885PTGES 1201/4885NR4A2 867/4885 |
| US-20140080825-A1 | Modulators of ATP-binding cassette transporters | CFTR, ABCB1, ABCC2 | CYP46A1 557/4885PTGES 1201/4885NR4A2 867/4885 |
“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.