Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.49 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.46 |
| ▸ | ITGA5 | P08648 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 3/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | TTR | P02766 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 3/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.42 |
| ▸ | TUBB | P07437 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL8547825 | 0.88 | SMN1; SMN2 (0.51) | ALDH1A1MAPTLMNAPOLBTSHR | |
| SCHEMBL8550836 | 0.88 | TSHR (0.50) | ALDH1A1MAPTLMNAPOLBTSHR | |
| SCHEMBL8546609 | 0.87 | MAPT (0.50) | ITGB1ITGA5MAPTLMNAPOLB | |
| SCHEMBL11861742 | 0.82 | TSHR (0.60) | ALDH1A1MAPTLMNAPOLBTSHR | |
| SCHEMBL21253254 | 0.82 | CYP1A2 (0.55) | ALDH1A1MAPTLMNAPOLBTSHR | |
| SCHEMBL50994 | 0.82 | TSHR (0.54) | ALDH1A1MAPTLMNAPOLBTSHR | |
| SCHEMBL8549114 | 0.80 | ALDH1A1 (0.45) | ALDH1A1MAPTLMNAPOLBTSHR | |
| SCHEMBL5863528 | 0.79 | TSHR (0.64) | ALDH1A1MAPTLMNAPOLBTSHR | |
| SCHEMBL1612393 | 0.79 | TSHR (0.51) | ALDH1A1MAPTLMNAPOLBTSHR | |
| SCHEMBL4415542 | 0.79 | TSHR (0.64) | ALDH1A1MAPTLMNAPOLBTSHR |
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 |