Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.39 |
| ▸ | HTT | P42858 | 2/20 | 0.39 |
| ▸ | PRKDC | P78527 | 1/20 | 0.38 |
| ▸ | MBTD1 | Q05BQ5 | 1/20 | 0.37 |
| ▸ | L3MBTL3 | Q96JM7 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | MTOR | P42345 | 1/20 | 0.36 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.36 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.36 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.36 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL4068782 | 0.86 | MBTD1 (0.46) | ALDH1A1MBTD1L3MBTL3LMNAHPGD | |
| SCHEMBL3580010 | 0.82 | SLC6A3 (0.42) | ALDH1A1HTTMBTD1L3MBTL3SMN1; SMN2 | |
| SCHEMBL4073260 | 0.81 | MGLL (0.41) | ALDH1A1HTTLMNASMN1; SMN2AAK1 | |
| SCHEMBL1516145 | 0.81 | ALDH1A1 (0.50) | ALDH1A1LMNAL3MBTL1KCNA5CYP3A4 | |
| SCHEMBL12068487 | 0.81 | ALDH1A1 (0.50) | ALDH1A1LMNAL3MBTL1KCNA5CYP3A4 | |
| Hydrochloric Acid SCHEMBL68317 | 0.80 | ALDH1A1 (0.53) | ALDH1A1HTTLMNAL3MBTL1KCNA5 | |
| SCHEMBL5239630 | 0.78 | KDM4E (0.49) | ALDH1A1LMNASMN1; SMN2L3MBTL1KMT2A | |
| SCHEMBL27754552 | 0.77 | HSP90AA1 (0.46) | ALDH1A1HTTHPGDSMN1; SMN2L3MBTL1 | |
| SCHEMBL4065914 | 0.77 | MEN1 (0.37) | ALDH1A1LMNASMN1; SMN2AAK1KMT2A | |
| SCHEMBL8251020 | 0.77 | MBTD1 (0.59) | ALDH1A1HTTMBTD1L3MBTL3MTOR |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2049118-A1 | MORPHOLINYL AND PYRROLIDINYL ANALOGS | SmithKline Beecham Corporation (US) | 2009-04-22 | — | — | EP | disclosed |
| WO-2008011551-A1 | MORPHOLINYL AND PYRROLIDINYL ANALOGS | SMITHKLINE BEECHAM CORPORATION (US) | 2008-01-24 | — | — | WO | disclosed |
| EP-0971892-A1 | NOVEL PYRIDINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | Astra Pharmaceuticals Limited (GB) | 2000-01-19 | — | — | EP | disclosed |
| WO-1998042670-A1 | NOVEL PYRIDINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | ASTRA PHARMACEUTICALS LTD. (GB) | 1998-10-01 | — | — | WO | disclosed |