Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | MAOA | P21397 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 4/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 4/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 5/20 | 0.39 |
| ▸ | LMNA | P02545 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.37 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.37 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8550792 | 0.87 | ALDH1A1 (0.42) | ALDH1A1MAOAKMT2ACYP1A2CYP2C9 | |
| SCHEMBL31488270 | 0.78 | DYRK1A (0.40) | ALDH1A1KMT2ACYP1A2CYP2C9CYP2C19 | |
| SCHEMBL8550781 | 0.78 | ALDH1A1 (0.44) | ALDH1A1KMT2AHTTSMN1; SMN2MAPT | |
| SCHEMBL8553714 | 0.77 | PLAU (0.37) | ALDH1A1MAOAKMT2AMAOBHTT | |
| SCHEMBL8552718 | 0.76 | ALDH1A1 (0.42) | ALDH1A1KMT2AHTTSMN1; SMN2MAPT | |
| SCHEMBL8553709 | 0.75 | ALDH1A1 (0.43) | ALDH1A1HTTSMN1; SMN2MAPTNPSR1 | |
| SCHEMBL8549961 | 0.74 | MEN1 (0.44) | ALDH1A1KMT2ASMN1; SMN2MAPTNPSR1 | |
| SCHEMBL7904780 | 0.74 | ALDH1A1 (0.60) | ALDH1A1KMT2AHTTSMN1; SMN2MAPT | |
| SCHEMBL8548608 | 0.73 | MAPT (0.44) | ALDH1A1KMT2AHTTSMN1; SMN2MAPT | |
| SCHEMBL11258565 | 0.70 | LRRK2 (0.42) | ALDH1A1MAOAKMT2ACYP1A2CYP2C19 |
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 |