Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.53 |
| ▸ | LMNA | P02545 | 3/20 | 0.53 |
| ▸ | MAPT | P10636 | 2/20 | 0.53 |
| ▸ | MEN1 | O00255 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.49 |
| ▸ | GAA | P10253 | 4/20 | 0.49 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | RAD52 | P43351 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | ATM | Q13315 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | PKM | P14618 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL5741966 | 0.85 | LMNA (0.47) | KDM4ESMN1; SMN2KMT2ALMNAALDH1A1 | |
| SCHEMBL5742717 | 0.85 | LMNA (0.46) | KDM4ESMN1; SMN2KMT2ALMNAALDH1A1 | |
| SCHEMBL5741173 | 0.85 | POLB (0.46) | KDM4ESMN1; SMN2KMT2ALMNAMAPT | |
| SCHEMBL5742813 | 0.82 | CCR6 (0.46) | SMN1; SMN2KMT2ALMNAALDH1A1GAA | |
| SCHEMBL5742693 | 0.82 | MAPT (0.52) | KDM4ESMN1; SMN2KMT2ALMNAMAPT | |
| SCHEMBL3823929 | 0.82 | KDM4E (0.49) | KDM4ESMN1; SMN2KMT2ALMNAMAPT | |
| SCHEMBL5740010 | 0.77 | MEN1 (0.47) | KMT2ALMNAMAPTMEN1ALDH1A1 | |
| SCHEMBL15457181 | 0.77 | ALDH1A1 (0.59) | KDM4ESMN1; SMN2LMNAALDH1A1GAA | |
| SCHEMBL5741867 | 0.75 | LMNA (0.51) | SMN1; SMN2LMNAALDH1A1GAATSHR | |
| SCHEMBL5739916 | 0.75 | ALDH1A1 (0.47) | KMT2ALMNAMAPTMEN1ALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1646615-A1 | PYRIMIDINE DERIVATIVES AS MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | Vertex Pharmaceuticals Incorporated (US) | 2006-04-19 | — | — | EP | disclosed |
| WO-2004111014-A1 | PYRIMIDINE DERIVATIVES AS MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2004-12-23 | — | — | WO | disclosed |