Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA5A | P35218 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | NR1H2 | P55055 | 4/20 | 0.33 |
| ▸ | NR1H3 | Q13133 | 4/20 | 0.33 |
| ▸ | KCNJ11 | Q14654 | 1/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.33 |
| ▸ | AR | P10275 | 2/20 | 0.33 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | OGG1 | O15527 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL17026 | 0.83 | AR (0.46) | CA1CA2CA5ACA9NR1H2 | |
| SCHEMBL4987167 | 0.82 | AR (0.47) | CA1CA2CA5ACA9NR1H2 | |
| SCHEMBL18065574 | 0.82 | AR (0.47) | CA1CA2CA5ACA9NR1H2 | |
| SCHEMBL18595674 | 0.81 | TRPV1 (0.37) | NR1H2NR1H3KCNJ11ARS1PR4 | |
| SCHEMBL16098862 | 0.77 | NR1H2 (0.38) | CA1CA2CA5ACA9NR1H2 | |
| SCHEMBL15462891 | 0.76 | MGLL (0.55) | CA1CA2CA5A | |
| SCHEMBL17278184 | 0.75 | ALDH1A1 (0.41) | NR1H2NR1H3ARS1PR4ALDH1A1 | |
| SCHEMBL15974610 | 0.73 | CA1 (0.43) | CA1CA2CA5ACA9CYP2A6 | |
| SCHEMBL17054 | 0.73 | NR1H2 (0.56) | CA1CA2CA5ACA9NR1H2 | |
| SCHEMBL18095732 | 0.72 | LMNA (0.38) | CA1CA2CA5ACA9KCNJ11 |
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-20150065500-A1 | Modulators of ATP-Binding Cassette Transporters | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2015-03-05 | — | — | US | disclosed |
| US-8324207-B2 | Modulators of ATP-binding cassette transporters | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-12-04 | — | — | US | disclosed |
| US-20110172229-A1 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-07-14 | — | — | 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-20150065500-A1 | Modulators of ATP-Binding Cassette Transporters | CFTR, ABCB1, ABCC2 | CA1 4884/4885CA2 2789/4885CA5A 1711/4885 |
| US-20110172229-A1 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | CFTR, ABCB1, ABCC2 | CA1 4884/4885CA2 2789/4885CA5A 1711/4885 |
“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.