Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.50 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.48 |
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | SGMS2 | Q8NHU3 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.46 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | FABP7 | O15540 | 1/20 | 0.46 |
| ▸ | FABP5 | Q01469 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL7459494 | 0.84 | NMT1 (0.52) | ALDH1A1SLC6A2SLC6A3TSHR | |
| SCHEMBL2854195 | 0.84 | CYP2C19 (0.49) | ALDH1A1KMT2AMAPK1L3MBTL1SLC6A2 | |
| SCHEMBL3936284 | 0.84 | ALDH1A1 (0.45) | ALDH1A1KMT2AMAPK1L3MBTL1SLC6A2 | |
| SCHEMBL3936845 | 0.84 | ALDH1A1 (0.45) | ALDH1A1KMT2AMAPK1L3MBTL1SLC6A2 | |
| SCHEMBL8316188 | 0.83 | CHRNB2 (0.46) | ALDH1A1KMT2ATSHR | |
| SCHEMBL13402324 | 0.82 | SCN1A (0.57) | ALDH1A1KMT2AMEN1SLC6A3NPC1 | |
| SCHEMBL15843698 | 0.82 | ALDH1A1 (0.46) | ALDH1A1EPHX1KMT2AMEN1SGMS2 | |
| SCHEMBL15864914 | 0.82 | ALDH1A1 (0.46) | ALDH1A1EPHX1KMT2AMEN1SGMS2 | |
| SCHEMBL6027304 | 0.82 | ALDH1A1 (0.60) | ALDH1A1EPHX1KMT2AMEN1SGMS2 | |
| SCHEMBL15843697 | 0.82 | ALDH1A1 (0.46) | ALDH1A1EPHX1KMT2AMEN1SGMS2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230202990-A1 | CYCLOHEXYL SUBSTITUTED TRIAZOLES | HOFFMANN-LA ROCHE INC. (US) | 2023-06-29 | — | — | US | disclosed |
| WO-2017173274-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2017-10-05 | — | — | WO | disclosed |
| EP-2217564-A1 | COMPLEX PANTOIC ACID ESTER NEOPENTYL SULFONYL ESTER CYCLIZATION RELEASE PRODRUGS OF ACAMPROSATE, COMPOSITIONS THEREOF, AND METHODS OF USE | XenoPort, Inc. (US) | 2010-08-18 | — | — | EP | disclosed |
| US-20090076147-A1 | COMPLEX PANTOIC ACID ESTER NEOPENTYL SULFONYL ESTER CYCLIZATION RELEASE PRODRUGS OF ACAMPROSATE, COMPOSITIONS THEREOF, AND METHODS OF USE | XENOPORT, INC. | 2009-03-19 | — | — | US | disclosed |
| WO-2009033054-A1 | COMPLEX PANTOIC ACID ESTER NEOPENTYL SULFONYL ESTER CYCLIZATION RELEASE PRODRUGS OF ACAMPROSATE, COMPOSITIONS THEREOF, AND METHODS OF USE | XENOPORT, INC. (US) | 2009-03-12 | — | — | WO | 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-20230202990-A1 | CYCLOHEXYL SUBSTITUTED TRIAZOLES | AVPR1A, AVPR1B, AVPR2 | ALDH1A1 3130/4885EPHX1 3712/4885KMT2A 2005/4885 |
| US-20090076147-A1 | COMPLEX PANTOIC ACID ESTER NEOPENTYL SULFONYL ESTER CYCLIZATION RELEASE PRODRUGS OF ACAMPROSATE, COMPOSITIONS THEREOF, AND METHODS OF USE | ADSL, SLC19A1, SLC25A21 | ALDH1A1 1514/4885EPHX1 3143/4885KMT2A 4109/4885 |
“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.