Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR6 | P51684 | 3/20 | 0.46 |
| ▸ | CFTR | P13569 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | USP2 | O75604 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | PKLR | P30613 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.42 |
| ▸ | HRH2 | P25021 | 1/20 | 0.42 |
| ▸ | HRH1 | P35367 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | NSD2 | O96028 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | GFER | P55789 | 1/20 | 0.41 |
| ▸ | P2RX3 | P56373 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL5741018 | 0.90 | L3MBTL1 (0.50) | CCR6CFTRLMNARAB9ASMN1; SMN2 | |
| SCHEMBL5741966 | 0.88 | LMNA (0.47) | NPC1KMT2AUSP2LMNAPKM | |
| SCHEMBL5742717 | 0.87 | LMNA (0.46) | NPC1KMT2AUSP2LMNAPKM | |
| SCHEMBL5741173 | 0.87 | POLB (0.46) | NPC1KMT2AUSP2LMNAPKM | |
| SCHEMBL5742693 | 0.84 | MAPT (0.52) | NPC1KMT2AUSP2LMNASMN1; SMN2 | |
| SCHEMBL5741821 | 0.82 | KDM4E (0.56) | NPC1KMT2AUSP2LMNAPKM | |
| SCHEMBL3820600 | 0.81 | CFTR (0.46) | CCR6CFTRNPC1KMT2ALMNA | |
| SCHEMBL5740010 | 0.79 | MEN1 (0.47) | KMT2ALMNAPKMRAB9AALDH1A1 | |
| SCHEMBL15457181 | 0.79 | ALDH1A1 (0.59) | NPC1LMNAPKMPKLRRAB9A | |
| SCHEMBL5741867 | 0.77 | LMNA (0.51) | LMNAPKMRAB9ASMN1; SMN2HSD11B1 |
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 |