Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.40 |
| ▸ | SPR | P35270 | 1/20 | 0.39 |
| ▸ | HMOX1 | P09601 | 1/20 | 0.39 |
| ▸ | MARS1 | P56192 | 2/20 | 0.38 |
| ▸ | GRM5 | P41594 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | THRB | P10828 | 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 | |
|---|---|---|---|---|
| SCHEMBL14600709 | 0.90 | MARS1 (0.43) | ALDH1A1KDM4ECYP1A2CYP2C9CYP2C19 | |
| SCHEMBL4667518 | 0.83 | KCNMA1 (0.39) | ALDH1A1KDM4ECYP1A2CYP2C9CYP2C19 | |
| SCHEMBL14600645 | 0.80 | ALDH1A1 (0.41) | ALDH1A1KDM4ECYP1A2CYP2C9CYP2C19 | |
| SCHEMBL27749269 | 0.80 | TP53 (0.43) | ALDH1A1KDM4EMEN1KMT2AHPGD | |
| Hydrochloric Acid SCHEMBL27749272 | 0.79 | TP53 (0.42) | ALDH1A1KDM4EMEN1KMT2AHPGD | |
| SCHEMBL4664665 | 0.79 | TGFBR1 (0.40) | ALDH1A1HPGDTP53TGFBR1 | |
| SCHEMBL6353421 | 0.75 | MEN1 (0.41) | ALDH1A1KDM4EMEN1KMT2AMAPK14 | |
| SCHEMBL6342666 | 0.71 | OXTR (0.51) | ALDH1A1KDM4ECYP1A2CYP2C9CYP2C19 | |
| SCHEMBL15712334 | 0.70 | ALDH1A1 (0.42) | ALDH1A1KDM4ECYP1A2CYP2C9CYP2C19 | |
| SCHEMBL3305011 | 0.69 | MAPK14 (0.45) | ALDH1A1MAPK14HPGDMAPT |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1928455-A1 | ANILINOPYRAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF DIABETES | Bayer Healthcare, LLC (US) | 2008-06-11 | — | — | EP | disclosed |
| WO-2007027842-A1 | ANILINOPYRAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF DIABETES | BAYER HEALTHCARE LLC (US) | 2007-03-08 | — | — | WO | disclosed |
| WO-2007027842-A1 | ANILINOPYRAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF DIABETES | BAYER HEALTHCARE LLC (US) | 2007-03-08 | — | — | WO | disclosed |