Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 4/20 | 0.51 |
| ▸ | BCHE | P06276 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.44 |
| ▸ | CHRM2 | P08172 | 3/20 | 0.43 |
| ▸ | CHRM4 | P08173 | 3/20 | 0.43 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.43 |
| ▸ | CHRM3 | P20309 | 3/20 | 0.43 |
| ▸ | CYP26A1 | O43174 | 1/20 | 0.42 |
| ▸ | CYP26B1 | Q9NR63 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL13286763 | 0.89 | ACHE (0.58) | ACHEALDH1A1NR1H4LMNA | |
| SCHEMBL19185416 | 0.82 | ADRB2 (0.52) | ACHEALDH1A1 | |
| Water SCHEMBL16321972 | 0.82 | BCHE (0.57) | ACHEBCHEALDH1A1CHRM2CHRM4 | |
| SCHEMBL11020502 | 0.82 | RAB9A (0.51) | ACHEBCHEALDH1A1CHRM2CHRM4 | |
| SCHEMBL15177568 | 0.82 | L3MBTL1 (0.53) | ACHEBCHECHRM2CHRM4CHRM1 | |
| SCHEMBL22503321 | 0.82 | SLC7A5 (0.45) | ACHEBCHEALDH1A1CHRM2CHRM4 | |
| SCHEMBL1787779 | 0.81 | ACHE (0.57) | ACHEALDH1A1 | |
| SCHEMBL13804239 | 0.81 | PHLPP2 (0.52) | ACHEALDH1A1LMNA | |
| Hydrochloric Acid SCHEMBL11333455 | 0.81 | L3MBTL1 (0.52) | ACHEBCHE | |
| Hydrochloric Acid SCHEMBL11021991 | 0.81 | RAB9A (0.50) | ACHEBCHEALDH1A1CHRM2CHRM4 |
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-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-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 (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-20150190390-A1 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | CFTR, ABCB1, ABCC2 | ACHE 4642/4885BCHE 2609/4885ALDH1A1 1836/4885 |
| US-20090143381-A1 | MODULATORS OF ATP-BINDING CASSETTE-TRANSPORTERS | CFTR, ABCB1, ABCC2 | ACHE 4639/4885BCHE 2607/4885ALDH1A1 1985/4885 |
| US-20140206689-A1 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | CFTR, ABCB1, ABCC2 | ACHE 4616/4885BCHE 2612/4885ALDH1A1 1786/4885 |
“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.