Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.40 |
| ▸ | MAPT | P10636 | 4/20 | 0.40 |
| ▸ | LMNA | P02545 | 3/20 | 0.40 |
| ▸ | HTT | P42858 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | PPARG | P37231 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 3/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 3/20 | 0.39 |
| ▸ | MITF | O75030 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL3240065 | 0.91 | ALDH1A1 (0.38) | ALDH1A1MAPTLMNAHTTNPC1 | |
| SCHEMBL5365684 | 0.83 | ALDH1A1 (0.47) | ALDH1A1MAPTLMNAHTTKDM4E | |
| SCHEMBL3239722 | 0.78 | KMT2A (0.42) | ALDH1A1MAPTHTTKDM4ENPC1 | |
| SCHEMBL3242147 | 0.78 | ALDH1A1 (0.39) | ALDH1A1MAPTLMNAHTTNPC1 | |
| SCHEMBL5365803 | 0.74 | ALDH1A1 (0.41) | ALDH1A1MAPTLMNAHTTKDM4E | |
| SCHEMBL30062014 | 0.73 | ALDH1A1 (0.59) | ALDH1A1MAPTLMNAHTTKDM4E | |
| SCHEMBL194989 | 0.73 | ALDH1A1 (0.59) | ALDH1A1MAPTLMNAHTTKDM4E | |
| SCHEMBL5365676 | 0.71 | HTT (0.42) | ALDH1A1MAPTLMNAHTTKDM4E | |
| SCHEMBL7787599 | 0.69 | MAPK1 (0.68) | ALDH1A1MAPTLMNAHTTKDM4E | |
| SCHEMBL4485751 | 0.68 | KMT2A (0.60) | ALDH1A1LMNANPC1GAARAB9A |
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-1418176-B1 | Pyrazole derivates, their preparation and their use in drugs | SANOFI AVENTIS DEUTSCHLAND (DE) | 2010-04-28 | — | — | EP | disclosed |
| EP-1418176-A1 | Pyrazole derivates, their preparation and their use in drugs | Aventis Pharma Deutschland GmbH (DE) | 2004-05-12 | — | — | EP | disclosed |
| EP-0908456-B1 | Pyrazole derivatives, their preparation and their use in drugs | AVENTIS PHARMA GMBH (DE) | 2003-12-17 | — | — | EP | disclosed |
| EP-0908456-A1 | Pyrazole derivatives, their preparation and their use in drugs | Hoechst Marion Roussel Deutschland GmbH (DE) | 1999-04-14 | — | — | EP | disclosed |