Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | CNR2 | P34972 | 4/20 | 0.46 |
| ▸ | HTR2A | P28223 | 1/20 | 0.45 |
| ▸ | HTR2C | P28335 | 1/20 | 0.45 |
| ▸ | CA12 | O43570 | 7/20 | 0.44 |
| ▸ | CA9 | Q16790 | 7/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.44 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.44 |
| ▸ | ABCC2 | Q92887 | 1/20 | 0.44 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.44 |
| ▸ | UGT1A7 | Q9HAW7 | 1/20 | 0.44 |
| ▸ | SLC22A11 | Q9NSA0 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 3/20 | 0.44 |
| ▸ | CA1 | P00915 | 5/20 | 0.43 |
| ▸ | CNR1 | P21554 | 2/20 | 0.43 |
| ▸ | TAS2R14 | Q9NYV8 | 3/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL21514992 | 0.88 | ALDH1A1 (0.46) | ALDH1A1CNR2HTR2AHTR2CCA12 | |
| SCHEMBL5018945 | 0.85 | CA9 (0.58) | ALDH1A1CNR2CA12CA9CA2 | |
| SCHEMBL10282782 | 0.84 | TAS2R14 (0.57) | ALDH1A1CNR2CA12CA9CA2 | |
| SCHEMBL12646345 | 0.83 | TAS2R14 (0.50) | ALDH1A1CNR2HTR2AHTR2CCA12 | |
| SCHEMBL16503464 | 0.83 | ALDH1A1 (0.48) | ALDH1A1CNR2HTR2AHTR2CCA12 | |
| SCHEMBL10258034 | 0.83 | TAS2R14 (0.53) | ALDH1A1CNR2CA12CA9CA2 | |
| SCHEMBL12169380 | 0.81 | ALDH1A1 (0.47) | ALDH1A1CNR2HTR2AHTR2CCA12 | |
| SCHEMBL5018778 | 0.75 | LMNA (0.66) | ALDH1A1CNR2RAB9ASMN1; SMN2LMNA | |
| SCHEMBL3848953 | 0.75 | CNR2 (0.62) | CNR2LMNACNR1TAS2R14 | |
| SCHEMBL14132730 | 0.74 | CNR2 (0.46) | ALDH1A1CNR2HTR2AHTR2CCA12 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20130296364-A1 | MODULATORS OF ATP-BINDING CASSETTE-TRANSPORTERS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-11-07 | — | — | US | disclosed |
| US-8324207-B2 | Modulators of ATP-binding cassette transporters | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-12-04 | — | — | 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 (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-20130296364-A1 | MODULATORS OF ATP-BINDING CASSETTE-TRANSPORTERS | CFTR, ABCB1, ABCC2 | ALDH1A1 1985/4885CNR2 1564/4885HTR2A 2930/4885 |
| US-20090143381-A1 | MODULATORS OF ATP-BINDING CASSETTE-TRANSPORTERS | CFTR, ABCB1, ABCC2 | ALDH1A1 1985/4885CNR2 1564/4885HTR2A 2930/4885 |
“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.