Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | PARP1 | P09874 | 8/20 | 0.36 |
| ▸ | AR | P10275 | 1/20 | 0.36 |
| ▸ | PRMT5 | O14744 | 2/20 | 0.35 |
| ▸ | WDR77 | Q9BQA1 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | MAOA | P21397 | 1/20 | 0.32 |
| ▸ | MAOB | P27338 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | GPR39 | O43194 | 1/20 | 0.32 |
| ▸ | USP2 | O75604 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL29987327 | 0.73 | PRMT5 (0.53) | ALDH1A1PARP1ARPRMT5KDM4E | |
| SCHEMBL128825 | 0.72 | NPC1 (0.41) | ALDH1A1NPC1KDM4ETSHRGPR39 | |
| SCHEMBL126126 | 0.71 | ALDH1A1 (0.47) | ALDH1A1PARP1KDM4EPOLBCYP2C9 | |
| SCHEMBL29460875 | 0.68 | TSHR (0.56) | ALDH1A1CYP2C19TSHR | |
| SCHEMBL128279 | 0.67 | NPC1 (0.38) | NPC1 | |
| SCHEMBL24076265 | 0.67 | PARP1 (0.55) | PARP1ARPRMT5WDR77KDM4E | |
| SCHEMBL2879365 | 0.65 | TSHR (0.52) | ALDH1A1CYP2C19MAOAMAOBTSHR | |
| SCHEMBL6371791 | 0.63 | PARP1 (0.57) | ALDH1A1PARP1ARPRMT5KDM4E | |
| SCHEMBL4837264 | 0.63 | PARP1 (0.52) | PARP1ARPRMT5WDR77KDM4E | |
| SCHEMBL29535291 | 0.63 | KDM4E (0.41) | ALDH1A1NPC1KDM4ECYP3A4 |
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-1982986-B1 | PYRROLOPYRIDAZINONE COMPOUND AS PDE4 INHIBITOR | UBE INDUSTRIES (JP) | 2012-03-07 | — | — | EP | disclosed |