Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.49 |
| ▸ | PKM | P14618 | 3/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | ATM | Q13315 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 5/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.45 |
| ▸ | MAPT | P10636 | 4/20 | 0.45 |
| ▸ | LMNA | P02545 | 3/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | USP2 | O75604 | 1/20 | 0.45 |
| ▸ | CFTR | P13569 | 1/20 | 0.44 |
| ▸ | THRB | P10828 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL15457178 | 0.88 | CFTR (0.50) | KDM4EPKMSMN1; SMN2NPC1TSHR | |
| SCHEMBL3822460 | 0.85 | CFTR (0.48) | KDM4EPKMSMN1; SMN2NPC1TSHR | |
| SCHEMBL3820236 | 0.85 | CFTR (0.45) | PKMNPC1RAB9AMEN1KMT2A | |
| SCHEMBL3817436 | 0.85 | CFTR (0.47) | KDM4EPKMSMN1; SMN2NPC1TSHR | |
| SCHEMBL15457114 | 0.85 | CFTR (0.47) | KDM4EPKMSMN1; SMN2NPC1TSHR | |
| SCHEMBL3819087 | 0.85 | CFTR (0.47) | KDM4EPKMSMN1; SMN2NPC1TSHR | |
| SCHEMBL15457243 | 0.85 | KMT2A (0.57) | KDM4EPKMTSHRHSD17B10MEN1 | |
| SCHEMBL15457177 | 0.84 | CFTR (0.46) | KDM4EPKMSMN1; SMN2NPC1TSHR | |
| SCHEMBL15457179 | 0.83 | CFTR (0.49) | KDM4EPKMNPC1TSHRRAB9A | |
| SCHEMBL15457180 | 0.83 | S1PR1 (0.46) | KDM4EPKMSMN1; SMN2NPC1TSHR |
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 8 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-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 | KDM4E 4337/4885PKM 2518/4885SMN1; SMN2 4840/4885 |
“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.