Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.42 |
| ▸ | MAPT | P10636 | 5/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | PDE5A | O76074 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | PDE1A | P54750 | 1/20 | 0.42 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.42 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.42 |
| ▸ | PDE1C | Q14123 | 1/20 | 0.42 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 3/20 | 0.41 |
| ▸ | HTT | P42858 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL16057059 | 0.87 | CYP2A6 (0.43) | ALDH1A1MAPTSMN1; SMN2CYP3A4CYP2C9 | |
| SCHEMBL8548327 | 0.84 | ALDH1A1 (0.43) | ALDH1A1MAPTKDM4ESMN1; SMN2CYP3A4 | |
| SCHEMBL16056990 | 0.82 | KDM4E (0.36) | ALDH1A1MAPTKDM4ESMN1; SMN2CYP3A4 | |
| SCHEMBL8552241 | 0.81 | ALDH1A1 (0.41) | ALDH1A1MAPTKDM4ESMN1; SMN2CYP3A4 | |
| SCHEMBL8549262 | 0.81 | ALDH1A1 (0.41) | ALDH1A1MAPTKDM4ESMN1; SMN2CYP3A4 | |
| SCHEMBL8546655 | 0.80 | MAPK1 (0.42) | ALDH1A1MAPTKDM4ESMN1; SMN2CYP3A4 | |
| SCHEMBL16057562 | 0.79 | KMO (0.39) | CYP3A4CYP2C9CYP2C8DHODHMAPK1 | |
| SCHEMBL8548189 | 0.78 | NPSR1 (0.41) | ALDH1A1MAPTKDM4ESMN1; SMN2CYP3A4 | |
| SCHEMBL8550792 | 0.78 | ALDH1A1 (0.42) | ALDH1A1MAPTKDM4ESMN1; SMN2CYP3A4 | |
| SCHEMBL8546259 | 0.78 | NR1H2 (0.41) | ALDH1A1MAPTKDM4ESMN1; SMN2CYP3A4 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0825187-A1 | Condensed pyridazinyl guanidines, their production and use | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1998-02-25 | — | — | EP | disclosed |