Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.43 |
| ▸ | MEN1 | O00255 | 4/20 | 0.43 |
| ▸ | HPGD | P15428 | 3/20 | 0.43 |
| ▸ | CES2 | O00748 | 1/20 | 0.42 |
| ▸ | CES1 | P23141 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 4/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 3/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | NTSR1 | P30989 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.37 |
| ▸ | ERCC5 | P28715 | 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 | |
|---|---|---|---|---|
| SCHEMBL3239722 | 0.84 | KMT2A (0.42) | ALDH1A1KMT2AMEN1HPGDCES2 | |
| SCHEMBL3241897 | 0.80 | ALDH1A1 (0.41) | ALDH1A1KMT2AMEN1HPGDMAPT | |
| SCHEMBL3239957 | 0.79 | ALDH1A1 (0.49) | ALDH1A1KMT2AMEN1HPGDCES2 | |
| SCHEMBL3242147 | 0.76 | ALDH1A1 (0.39) | ALDH1A1KMT2AMEN1CES2MAPT | |
| SCHEMBL5371049 | 0.74 | KMT2A (0.49) | ALDH1A1KMT2AMEN1HPGDCES2 | |
| SCHEMBL27518003 | 0.72 | TSHR (0.57) | ALDH1A1KMT2AMEN1HPGDMAPT | |
| SCHEMBL377017 | 0.70 | KMT2A (0.32) | ALDH1A1KMT2AMEN1TDP1 | |
| SCHEMBL250099 | 0.70 | CES2 (0.71) | ALDH1A1KMT2AMEN1HPGDCES2 | |
| SCHEMBL30293901 | 0.70 | CES2 (0.71) | ALDH1A1KMT2AMEN1HPGDCES2 | |
| SCHEMBL97828 | 0.68 | CES2 (0.68) | ALDH1A1KMT2AMEN1HPGDCES2 |
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 |