Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | CXCR3 | P49682 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.37 |
| ▸ | UBE2M | P61081 | 1/20 | 0.37 |
| ▸ | DCUN1D1 | Q96GG9 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | PKM | P14618 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | CCR5 | P51681 | 2/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL4041414 | 0.88 | KMT2A (0.46) | SMN1; SMN2KMT2AHTTMAPTPKM | |
| SCHEMBL3917728 | 0.83 | SMN1; SMN2 (0.39) | SMN1; SMN2NPC1CYP1A2CYP2C9UBE2M | |
| SCHEMBL4034055 | 0.83 | L3MBTL1 (0.45) | KMT2AHTTMAPTPKMGAA | |
| SCHEMBL3927380 | 0.83 | CYP2D6 (0.45) | SMN1; SMN2KMT2AHTTMAPTGAA | |
| SCHEMBL2934783 | 0.83 | CCR5 (0.40) | SMN1; SMN2CXCR3KMT2AGAACCR5 | |
| SCHEMBL4041277 | 0.83 | KMT2A (0.41) | SMN1; SMN2CXCR3KMT2AHTTMAPT | |
| SCHEMBL4041475 | 0.82 | MMP2 (0.39) | SMN1; SMN2CXCR3KMT2AHTTMAPT | |
| SCHEMBL4038204 | 0.80 | EPHX2 (0.47) | KMT2ACCR5CYP2D6 | |
| SCHEMBL4035567 | 0.79 | LMNA (0.48) | CYP1A2KMT2AHTTMAPTPKM | |
| SCHEMBL4032408 | 0.79 | ALDH1A1 (0.52) | SMN1; SMN2KMT2AHTTMAPTGAA |
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-1730144-B1 | SUBSTITUTED 1,4,8-TRIAZASPIRO¬4.5 DECAN-2-ONE COMPOUNDS | GRUENENTHAL GMBH (DE) | 2009-06-10 | — | — | EP | claimed |