Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.55 |
| ▸ | HTR3A | P46098 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.39 |
| ▸ | AHR | P35869 | 1/20 | 0.39 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.38 |
| ▸ | CFTR | P13569 | 7/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
| ▸ | HTR2C | P28335 | 1/20 | 0.37 |
| ▸ | HTR2B | P41595 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| SCHEMBL23937804 | 0.89 | CYP3A4 (0.43) | CYP3A4HTR3AALDH1A1TP53RAB9A | |
| SCHEMBL13229697 | 0.83 | CYP3A4 (0.49) | CYP3A4HTR3AALDH1A1TP53RAB9A | |
| SCHEMBL2793777 | 0.81 | CYP3A4 (0.50) | CYP3A4HTR3AALDH1A1KMT2AMAPT | |
| SCHEMBL13229587 | 0.80 | CFTR (0.63) | CYP3A4HTR3AALDH1A1TP53RAB9A | |
| SCHEMBL6479523 | 0.80 | POLB (0.56) | CYP3A4HTR3ARAB9APOLBKMT2A | |
| SCHEMBL6708336 | 0.80 | CYP3A4 (0.49) | CYP3A4HTR3AALDH1A1RAB9AMAPK1 | |
| SCHEMBL13229620 | 0.79 | CYP3A4 (0.47) | CYP3A4HTR3AALDH1A1TP53RAB9A | |
| SCHEMBL13229624 | 0.79 | CFTR (0.48) | CYP3A4HTR3AALDH1A1TP53LMNA | |
| SCHEMBL13229591 | 0.78 | CYP3A4 (0.49) | CYP3A4HTR3AALDH1A1TP53RAB9A | |
| SCHEMBL10472393 | 0.77 | GABRA1 (0.52) | CYP3A4HTR3AHTR2AHTR2CHTR2B |
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-20140235668-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VPI | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2014-08-21 | — | — | US | disclosed |
| US-20130231364-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-09-05 | — | — | US | disclosed |
| US-8399479-B2 | Modulators of cystic fibrosis transmembrane conductance regulator | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-03-19 | — | — | US | disclosed |
| US-20100168158-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-07-01 | — | — | 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 (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-20140235668-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VPI | CFTR, ABCB1, ABCC1 | CYP3A4 3757/4885HTR3A 4289/4885ALDH1A1 4065/4885 |
| US-20100168158-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | CFTR, ABCB1, ABCC1 | CYP3A4 3621/4885HTR3A 3751/4885ALDH1A1 3001/4885 |
| US-20130231364-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | CFTR, ABCB1, ABCC1 | CYP3A4 3621/4885HTR3A 3751/4885ALDH1A1 3001/4885 |
“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.