Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR6 | P51684 | 1/20 | 0.52 |
| ▸ | LMNA | P02545 | 3/20 | 0.52 |
| ▸ | PKM | P14618 | 3/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | HTT | P42858 | 2/20 | 0.52 |
| ▸ | MEN1 | O00255 | 1/20 | 0.52 |
| ▸ | TP53 | P04637 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 1/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.52 |
| ▸ | HPGD | P15428 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.52 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.52 |
| ▸ | CFTR | P13569 | 1/20 | 0.50 |
| ▸ | EHMT2 | Q96KQ7 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL5740304 | 0.85 | HTR2A (0.53) | CCR6LMNAPKMALDH1A1MEN1 | |
| SCHEMBL5743390 | 0.85 | LMNA (0.51) | LMNAPKMALDH1A1HTTKMT2A | |
| SCHEMBL4066459 | 0.85 | CFTR (0.67) | CCR6LMNAPKMKDM4EALDH1A1 | |
| SCHEMBL5743239 | 0.84 | LMNA (0.55) | LMNAPKMALDH1A1HTTKMT2A | |
| SCHEMBL5741493 | 0.84 | CFTR (0.65) | CCR6LMNAPKMKDM4EALDH1A1 | |
| SCHEMBL5741579 | 0.84 | PDE5A (0.58) | LMNAPKMALDH1A1MEN1TSHR | |
| SCHEMBL5742174 | 0.82 | GBA1 (0.62) | LMNAPKMALDH1A1HTTMEN1 | |
| SCHEMBL5741270 | 0.81 | LMNA (0.57) | LMNAPKMALDH1A1MEN1TSHR | |
| SCHEMBL5741944 | 0.81 | LMNA (0.52) | LMNAPKMALDH1A1MEN1KMT2A | |
| SCHEMBL5743384 | 0.81 | GBA1 (0.63) | LMNAPKMALDH1A1HTTMEN1 |
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 |