Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | GPR6 | P46095 | 3/20 | 0.43 |
| ▸ | CNR1 | P21554 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | CCR6 | P51684 | 1/20 | 0.40 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.39 |
| ▸ | GBA1 | P04062 | 3/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL3823767 | 0.92 | GPR6 (0.47) | MAPTGPR6HTTLMNAMAPK1 | |
| SCHEMBL15457168 | 0.92 | GBA1 (0.43) | KMT2AMAPTGPR6HTTUSP2 | |
| SCHEMBL3820600 | 0.90 | CFTR (0.46) | KMT2AHTTLMNATSHRSMN1; SMN2 | |
| SCHEMBL3825309 | 0.87 | ATM (0.44) | S1PR1NPSR1KMT2AMAPTHTT | |
| SCHEMBL13723945 | 0.86 | ATM (0.43) | NPSR1KMT2AMAPTHTTUSP2 | |
| SCHEMBL3821683 | 0.86 | GBA1 (0.44) | NPSR1KMT2AMAPTHTTUSP2 | |
| SCHEMBL15457257 | 0.85 | GBA1 (0.52) | NPSR1KMT2AMAPTHTTUSP2 | |
| SCHEMBL15457091 | 0.85 | LMNA (0.47) | NPSR1KMT2AHTTUSP2LMNA | |
| SCHEMBL15457123 | 0.85 | HTT (0.45) | NPSR1HTTUSP2LMNATSHR | |
| SCHEMBL15457180 | 0.85 | S1PR1 (0.46) | S1PR1NPSR1KMT2ACNR1HTT |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8642609-B2 | Modulators of ATP-binding cassette transporters | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2014-02-04 | — | — | US | disclosed |
| US-8642609-B2 | Modulators of ATP-binding cassette transporters | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2014-02-04 | — | — | US | disclosed |
| US-8642609-B2 | Modulators of ATP-binding cassette transporters | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2014-02-04 | — | — | US | disclosed |
| EP-1646615-B1 | PYRIMIDINE DERIVATIVES AS MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | VERTEX PHARMA (US) | 2009-08-26 | — | — | EP | disclosed |
| EP-1646615-A1 | PYRIMIDINE DERIVATIVES AS MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | Vertex Pharmaceuticals Incorporated (US) | 2006-04-19 | — | — | EP | disclosed |
| US-20050059687-A1 | Modulators of ATP-Binding Cassette transporters | VERTEX PHARMACEUTICALS INCORPORATED | 2005-03-17 | — | — | US | disclosed |
| WO-2004111014-A1 | PYRIMIDINE DERIVATIVES AS MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2004-12-23 | — | — | 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 (1 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-20050059687-A1 | Modulators of ATP-Binding Cassette transporters | CFTR, ABCB1, ABCC2 | S1PR1 2071/4885NPSR1 3650/4885KMT2A 4344/4885 |
“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.